SCHEMBL4294892

SCHEMBL4294892

S=C1CNc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
THRB P10828 1/20 0.50
HK1 P19367 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
GALK1 P51570 1/20 0.50
BLM P54132 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
ALDH1A1 P00352 4/20 0.45
ALOX12 P18054 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.36

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
SCHEMBL315218 0.77 MEN1 (0.47) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL8800787 0.77 HSD17B10 (0.44) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL7404124 0.76 CA12 (0.55) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL5740686 0.73 ALOX15 (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL37900 0.71 AHR (0.50) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL29483964 0.71 AHR (0.50) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL310398 0.71 HTR5A (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL13775958 0.70 ALOX15 (0.39) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL17349232 0.68 MEN1 (0.41) MEN1KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL8805855 0.67 BRPF1 (0.47) MEN1KMT2AMAPTNPC1ALOX15

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-9474793-B2 Vaccines and methods for prevention and treatment of drug-resistant HIV-1 and hepatitis B virus THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-25 US disclosed
US-20090317418-A1 VACCINES AND METHODS FOR PREVENTION AND TREATMENT OF DRUG-RESISTANT HIV-1 AND HEPATITIS B VIRUS THE GOV'T OF USOA as represented by the SECRETARY OF THE DEPT OF HHS (US) 2009-12-24 US disclosed
EP-1866319-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-19 EP disclosed
WO-2006137953-A1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS THE REGENTS OF THE UNIVERISITY OF CALIFORNIA (US) 2006-12-28 WO disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5478823-A Antiinflammatory agents, antiallergens; tricyclic triazolo derivative TORAY INDUSTRIES, INC. (JP) 1995-12-26 US disclosed
EP-0617961-A1 EOSINOPHIL INFILTRATION INHIBITOR TORAY INDUSTRIES, INC. (JP) 1994-10-05 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed