SCHEMBL7653825

SCHEMBL7653825

COc1ccc(-n2nc(-c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ADORA3 P0DMS8 3/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
TNKS O95271 1/20 0.50
GUSB P08236 1/20 0.50
PARP1 P09874 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
RPA1 P27694 1/20 0.50
SCN2A Q99250 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPBWR1 P48145 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL7659631 0.94 ATM (0.62) ATML3MBTL1ADORA3NPC1RAB9A
SCHEMBL7656031 0.86 L3MBTL1 (0.58) ATML3MBTL1ADORA3NPC1RAB9A
SCHEMBL7650664 0.85 ADORA3 (0.44) L3MBTL1ADORA3NPC1RAB9ATNKS
SCHEMBL15137129 0.84 L3MBTL1 (0.48) ATML3MBTL1ADORA3NPC1RAB9A
SCHEMBL7652937 0.84 TNKS (0.47) L3MBTL1ADORA3NPC1RAB9ATNKS
SCHEMBL7654423 0.81 ALDH1A1 (0.47) L3MBTL1ADORA3NPC1RAB9ATNKS
SCHEMBL15137228 0.79 L3MBTL1 (0.48) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL7652506 0.78 TNKS (0.50) ATMADORA3NPC1RAB9ATNKS
SCHEMBL7657329 0.77 ADORA3 (0.54) ATMADORA3TNKSTNKS2ADORA2A
SCHEMBL7656228 0.76 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed