SCHEMBL1038155

SCHEMBL1038155

COCc1nc2cc3c(cc2c(=O)[nH]1)[C@H](Nc1ccc(C(=O)O)cc1)CC3

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP14 Q460N5 1/20 0.35
PDE5A O76074 1/20 0.35
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1343569 1.00 PARP1 (0.40) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL1544255 1.00 PARP1 (0.40) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL989212 0.89 MAPT (0.38) PARP1KDM4EALDH1A1MAPTMEN1
SCHEMBL989215 0.89 MAPT (0.38) PARP1KDM4EALDH1A1MAPTMEN1
SCHEMBL987844 0.89 PARP1 (0.39) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL987842 0.89 PARP1 (0.39) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL3674775 0.89 KDM4E (0.43) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL3674777 0.89 KDM4E (0.43) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL2320352 0.88 PARP1 (0.42) PARP1KDM4ERECQLALDH1A1MAPT
SCHEMBL2320356 0.88 PARP1 (0.42) PARP1KDM4ERECQLALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863284-B2 Anti-cancer cyclopenta[G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2011-01-04 US disclosed