SCHEMBL4740170

SCHEMBL4740170

COC(=O)c1cc2ccccc2n1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
KMT2A Q03164 2/20 0.52
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
DAO P14920 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC9A1 P19634 1/20 0.45
F10 P00742 1/20 0.45
NOD2 Q9HC29 2/20 0.45
NOD1 Q9Y239 2/20 0.45
CCR2 P41597 1/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
NR4A2 P43354 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL5187654 0.83 DAO (0.46) MTNR1AMTNR1BKMT2AMCL1DAO
SCHEMBL7884242 0.83 DAO (0.64) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL4486403 0.83 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL29834903 0.83 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL3651263 0.82 NOD2 (0.65) MTNR1AMTNR1BKMT2AMCL1ALDH1A1
SCHEMBL27911009 0.81 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL27770675 0.81 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL519307 0.81 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL7873282 0.81 MTNR1A (0.56) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL3635435 0.81 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103201276-B Indole derivatives RICHTER GEDEON NYRT 2015-02-25 CN disclosed
CN-103201276-A Indole derivatives RICHTER GEDEON NYRT 2013-07-10 CN disclosed
EP-1330454-A4 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2008-03-19 EP disclosed
EP-1330454-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2003-07-30 EP disclosed
WO-2002030925-A1 BENZOPYRANYL HETEROCYCLE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2002-04-18 WO disclosed