SCHEMBL9017424

SCHEMBL9017424

NC(=O)c1ccc2c(c1OCc1ccccc1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP10 Q53GL7 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.41
PARP1 P09874 1/20 0.40
MAOA P21397 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRKCZ Q05513 1/20 0.38

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
SCHEMBL11663621 0.76 MAOB (0.51) MAOBNPC1RAB9AALDH1A1TP53
SCHEMBL30184648 0.74 PARP1 (0.54) MAPTSMN1; SMN2PARP10SIRT2PARP1
SCHEMBL9695924 0.72 NPC1 (0.42) NPC1RAB9AALDH1A1TP53PARP1
SCHEMBL26130020 0.71 MEN1 (0.48) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9348808 0.71 NPC1 (0.41) NPC1RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL19730907 0.71 SIRT2 (0.50) NPC1RAB9AALDH1A1TP53TSHR
SCHEMBL7689226 0.71 PARP1 (0.61) NPC1MAPTPARP10SIRT2PARP1
SCHEMBL28840214 0.70 PARP10 (0.47) MAOBNPC1PARP10SIRT2PARP1
SCHEMBL1761152 0.70 THRA (0.50) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4143247 0.70 NPC1 (0.52) MAOBNPC1RAB9AMAPTSMN1; 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
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP claimed