SCHEMBL64492

SCHEMBL64492

Cc1[c]c2ccccc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
CYP2A6 P11509 7/20 0.35
CYP1A2 P05177 6/20 0.35
ALDH1A1 P00352 2/20 0.34
PDE10A Q9Y233 1/20 0.34
TSHR P16473 2/20 0.33
NQO2 P16083 1/20 0.33
ACHE P22303 1/20 0.33
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MBNL1 Q9NR56 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL5671112 0.83 CYP2A6 (0.38) BRD4TDP1CYP2A6CYP1A2ALDH1A1
SCHEMBL4802146 0.80 KDM4E (0.44) TDP1CYP2A6CYP1A2ALDH1A1NQO2
SCHEMBL1776822 0.78 CYP1A2 (0.38) BRD4TDP1CYP2A6CYP1A2ALDH1A1
SCHEMBL1717201 0.78 BRD4 (0.37) BRD4TDP1CYP2A6CYP1A2ALDH1A1
SCHEMBL10822441 0.78 BRD4 (0.37) BRD4TDP1CYP2A6CYP1A2ALDH1A1
SCHEMBL10822591 0.78 MAPT (0.35) TDP1CYP2A6CYP1A2ALDH1A1TSHR
SCHEMBL3269198 0.78 ACHE (0.34) TDP1CYP2A6CYP1A2ACHEMBNL1
SCHEMBL10822588 0.78 BRD4 (0.37) BRD4TDP1CYP2A6CYP1A2ALDH1A1
SCHEMBL76620 0.78 IDO1 (0.34) TDP1CYP2A6ALDH1A1TSHRHPGD
SCHEMBL11008069 0.78 CYP2A6 (0.32) TDP1CYP2A6

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

Appears in 2194 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884405-B Lubricating oil composition 出光兴产株式会社 2023-01-17 CN claimed
US-20220220101-A1 COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2022-07-14 US claimed
CN-110168061-B Lubricating oil composition 出光兴产株式会社 2022-05-17 CN claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
CN-106892945-A A kind of N-heterocyclic carbine-palladium complex, its preparation method and application 温州大学 2017-06-27 CN claimed
CN-104447324-A Arylalkyl methacrylate as well as preparation method and application thereof DALIAN ORIENT CREATIVE TECHNOLOGY CO LTD 2015-03-25 CN claimed
US-5130603-A A stilbene, bluish purple to green IDEMITSU KOSAN CO., LTD. (JP) 1992-07-14 US claimed
US-5034364-A Silylchromium compounds and polymers as polymerization catalysts MOBIL OIL CORPORATION (US) 1991-07-23 US claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-RE31300-E Process for preparing alkyl- or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1983-07-05 US claimed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 US claimed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US claimed
US-4000190-A FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US claimed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US claimed
US-3962323-A PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-08 US claimed