SCHEMBL2909600

SCHEMBL2909600

Clc1ccc(C(Cl)c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.71
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
AKT1 P31749 5/20 0.46
FFAR2 O15552 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GCGR P47871 1/20 0.42
NT5E P21589 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1573440 0.84 TSHR (0.60) CYP19A1MAPK1TSHRHIF1ATDP1
SCHEMBL11538836 0.83 CYP19A1 (1.00) CYP19A1MAPK1TSHRHIF1ATDP1
SCHEMBL30599784 0.79 CYP19A1 (0.45) CYP19A1KMT2AMEN1GCGRKDM4E
SCHEMBL2907043 0.79 CYP19A1 (0.68) CYP19A1AKT1FFAR2KMT2AMEN1
SCHEMBL6501455 0.79 CYP19A1 (0.68) CYP19A1MAPK1TSHRHIF1ATDP1
SCHEMBL12204722 0.79 CYP19A1 (0.68) CYP19A1MAPK1TSHRHIF1ATDP1
SCHEMBL3051353 0.79 CYP19A1 (0.68) CYP19A1AKT1FFAR2GCGR
SCHEMBL3299165 0.79 CYP19A1 (0.68) CYP19A1MAPK1TSHRHIF1ATDP1
SCHEMBL4001375 0.78 SLC6A3 (0.65) CYP19A1TSHRKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL1695874 0.77 CYP19A1 (0.65) CYP19A1AKT1FFAR2GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
CN-100386314-C Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2008-05-07 CN disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed