SCHEMBL7363580

SCHEMBL7363580

COc1ccccc1OCc1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
PARP1 P09874 3/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ROCK2 O75116 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7369651 0.86 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PARP1LMNA
SCHEMBL7363561 0.85 PLK4 (0.42) RAB9ANPC1SMN1; SMN2PARP1HSD17B10
SCHEMBL4440941 0.85 PARP1 (0.46) RAB9ANPC1SMN1; SMN2PARP1HSD17B10
SCHEMBL8648025 0.78 PARP1 (0.67) PARP1CDK9DYRK1A
SCHEMBL14347043 0.78 DDAH1 (0.46) PARP1HSD17B10MAPK1
SCHEMBL3429444 0.75 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HSD17B10LMNA
SCHEMBL7003014 0.75 PLK4 (0.45) RAB9ASMN1; SMN2PARP1HSD17B10LMNA
SCHEMBL1552751 0.74 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2HSD17B10LMNA
SCHEMBL8568575 0.73 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2PARP1HSD17B10
Hydrochloric Acid SCHEMBL8568583 0.73 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2HSD17B10HTT

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-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP claimed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO claimed