SCHEMBL7360592

SCHEMBL7360592

CCCOc1cc(C(=O)OC)cnc1SC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7359868 0.86 KMT2A (0.43) MAPTHPGDKMT2AALDH1A1POLB
SCHEMBL70809 0.79 PSMD14 (0.40) PSMD14MAPK1ATMSMN1; SMN2RAB9A
SCHEMBL71914 0.76 KDM4E (0.50) PSMD14MAPK1ATMSMN1; SMN2RAB9A
SCHEMBL24529610 0.75 MAPK1 (0.47) PSMD14MAPK1ATMSMN1; SMN2RAB9A
SCHEMBL72346 0.75 KDM4E (0.46) PSMD14MAPK1ATMSMN1; SMN2RAB9A
SCHEMBL10297739 0.75 MAPK1 (0.44) PSMD14MAPK1ATMSMN1; SMN2RAB9A
SCHEMBL70032 0.75 PDE4B (0.42) KMT2APDE4D
SCHEMBL9680841 0.74 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMAPTL3MBTL1KDM4E
SCHEMBL6865815 0.73 CA12 (0.43) SMN1; SMN2RAB9AMAPTL3MBTL1HSD17B10
SCHEMBL5150372 0.72 KDM4E (0.62) L3MBTL1KDM4EHPGDPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed