SCHEMBL9728648

SCHEMBL9728648

O=C(Nc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 2/20 0.51
ABL1 P00519 1/20 0.51
SRC P12931 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49

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
SCHEMBL11707540 0.83 RAB9A (0.69) ADORA3RAB9ANPC1MAPK1TP53
SCHEMBL9728467 0.82 RAB9A (0.72) ADORA3RAB9ANPC1TP53KDM4E
SCHEMBL9728402 0.80 RAB9A (0.57) ADORA3RAB9ANPC1TP53KDM4E
SCHEMBL9728156 0.76 KDM4E (0.73) RAB9ANPC1MAPK1TP53KDM4E
SCHEMBL9728645 0.75 RAB9A (0.61) ADORA3RAB9ANPC1MAPK1TP53
SCHEMBL11702096 0.75 RAB9A (0.65) ADORA3RAB9ANPC1MAPK1TP53
SCHEMBL5089620 0.75 RAB9A (0.70) RAB9ANPC1TP53KDM4ENPSR1
SCHEMBL4401440 0.74 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL27810320 0.72 KDM4E (0.62) RAB9ANPC1MAPK1POLBKDM4E
SCHEMBL24090010 0.72 USP2 (0.52) RAB9ANPC1POLBKDM4E

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
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US claimed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed