SCHEMBL5852389

SCHEMBL5852389

Cc1ccc2nc3ccccc3c(C=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.55
NQO2 P16083 1/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOA P21397 1/20 0.45
KDM1A O60341 2/20 0.45
CYP1A2 P05177 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3042274 0.84 ERN1 (0.61) ERN1NQO2KMT2AMAOAKDM1A
Hydrazine SCHEMBL28066974 0.80 ERN1 (0.58) ERN1NQO2KMT2AMAOAKDM1A
SCHEMBL11297224 0.78 ALB (0.51) ERN1MEN1KMT2AMAOACYP1A2
SCHEMBL13502280 0.77 MAOA (0.65) NQO2MEN1KMT2AMAOAKDM1A
Hydrochloric Acid SCHEMBL11301813 0.77 ALB (0.50) ERN1MEN1KMT2AMAOACYP1A2
SCHEMBL11873676 0.76 ERN1 (0.48) ERN1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL22871880 0.76 ERN1 (0.49) ERN1MAOACYP1A2ALDH1A1GAA
SCHEMBL28277810 0.75 GPR3 (0.46) ERN1NQO2MEN1KMT2AMAOA
Hydrochloric Acid SCHEMBL11301953 0.75 ALB (0.49) ERN1MEN1KMT2AMAOACYP1A2
SCHEMBL20659678 0.74 ERN1 (0.70) ERN1MEN1KMT2ACYP1A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017220637-A1 METHODS FOR OPTICAL MAPPING OF POLYNUCLEOTIDES DANMARKS TEKNISKE UNIVERSITET (DK) 2017-12-28 WO disclosed
CN-103992310-B One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor 中国医学科学院医药生物技术研究所 2016-07-06 CN disclosed
CN-103304555-B One group of benzene-oxazolyl derivative and preparation method thereof and the related application as IMPDH inhibitor INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-03-30 CN disclosed
US-20160008783-A1 PHOTOCATALYTIC DEGRADATION OF SUGAR EMPIRE TECHNOLOGY DEVELOPMENT LLC 2016-01-14 US disclosed
WO-2016005979-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HONEYBEES THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2016-01-14 WO disclosed
WO-2014126647-A1 PHOTOCATALYTIC DEGRADATION OF SUGAR EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-08-21 WO disclosed
CN-103992310-A Group of substituted benzoheterocycle amine derivatives and preparation method and related application thereof as IMPDH (inosine monophosphate dehydrogenase) inhibitor INST MEDICINAL BIOTECHNOLOGY 2014-08-20 CN disclosed
CN-103304555-A Group of benzene-oxazolyl derivatives and preparation method as well as relevant application thereof as IMPDH (Inosine Monophosphate Dehydrogenase) inhibitor INST MEDICINAL BIOTECHNOLOGY 2013-09-18 CN disclosed
US-7045361-B2 Analyte sensing via acridine-based boronate biosensors MEDTRONIC MINIMED, INC. (US) 2006-05-16 US disclosed
US-20050191761-A1 ANALYTE SENSING VIA ACRIDINE-BASED BORONATE BIOSENSORS MEDTRONIC MINIMED INC. 2005-09-01 US disclosed
WO-2003104167-A2 CYANOHYDRIN ETHERS AND ESTERS AS HIGH-SENSITIVITY ENZYME SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-18 WO disclosed
US-6528675-B1 Spectrophotometrically active moieties; detecting, monitoring, and measuring activity of enzymes that cause cleavage of certain substrates; wider band width, simpler and less costly optics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-03-04 US disclosed
EP-0818431-A1 Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1995020404-A1 TRIPLEX-FORMING PAIRED-ION OLIGONUCLEOTIDES AND METHODS FOR PREPARING AND USING SAME UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1995-08-03 WO disclosed
WO-1993020090-A1 PAIRED-ION OLIGONUCLEOTIDES AND METHODS FOR PREPARING SAME UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1993-10-14 WO disclosed
WO-1993002689-A1 SYNTHETIC RIBONUCLEASES AND METHODS FOR PREPARING AND USING SAME UNIVERSITY OF MEDICINE & DENTISTRY (US) 1993-02-18 WO disclosed