SCHEMBL1737084

SCHEMBL1737084

COc1ccc(-c2nccc3c(C)c(C)n(CC=C(C)C)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DYRK1A Q13627 5/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CYP19A1 P11511 1/20 0.34
TNK2 Q07912 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL1737341 0.99 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPTGS2PDE3B
SCHEMBL1738894 0.88 MCL1 (0.34) MEN1KMT2ACCNA2CDK2
Hydrochloric Acid SCHEMBL1736952 0.87 MCL1 (0.34) MEN1KMT2ACCNA2CDK2
SCHEMBL1738553 0.86 KDM4E (0.46) ALDH1A1KDM4EHPGDPTGS2PDE3B
SCHEMBL1737685 0.86 PTGS1 (0.37) ALDH1A1KDM4EHPGDPTGS2PDE3B
SCHEMBL1737425 0.86 IDO1 (0.34) ALDH1A1KDM4EHPGDPDE3BPDE3A
SCHEMBL1737242 0.86 NQO2 (0.35) ALDH1A1KDM4EHPGDRAB9AMEN1
Hydrochloric Acid SCHEMBL1736223 0.85 PTGS1 (0.36) ALDH1A1KDM4EHPGDPTGS2PDE3B
Hydrochloric Acid SCHEMBL1736304 0.85 IDO1 (0.33) ALDH1A1KDM4EHPGDPDE3BPDE3A
Hydrochloric Acid SCHEMBL1736160 0.85 KDM4E (0.45) ALDH1A1KDM4EHPGDPTGS2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed