SCHEMBL13680535

SCHEMBL13680535

Cc1cccc(-c2cccc(NC(=O)N(C)C)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNPLA2 Q96AD5 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
CNR1 P21554 1/20 0.58
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNH2 Q12809 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APEX1 P27695 1/20 0.49
MGLL Q99685 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL8153658 0.90 HSD17B10 (0.65) PNPLA2HDAC6TP53HSD17B10MEN1
SCHEMBL13680447 0.89 PNPLA2 (0.62) PNPLA2HDAC6CNR1KMT2A
SCHEMBL13681314 0.83 CNR1 (0.65) CNR1TP53HSD17B10MEN1KMT2A
SCHEMBL19019393 0.82 TP53 (0.69) PNPLA2HDAC6TP53APEX1
SCHEMBL13680541 0.81 HSD17B10 (0.79) CNR1HSD17B10MEN1KMT2AKCNK3
SCHEMBL15186954 0.81 PNPLA2 (1.00) PNPLA2HDAC6TP53MEN1KMT2A
SCHEMBL13680547 0.80 CNR1 (0.61) CNR1HSD17B10MEN1KMT2AKCNK3
SCHEMBL13680515 0.79 FAAH (0.66) CNR1TP53HSD17B10MEN1KMT2A
SCHEMBL13680542 0.79 CNR1 (0.68) CNR1HSD17B10MEN1KMT2AKCNK3
SCHEMBL7618599 0.78 HSD17B10 (0.62) HSD17B10MEN1KMT2AHSP90AA1KCNK3

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed