SCHEMBL6824895

SCHEMBL6824895

COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.77
NPC1 O15118 9/20 0.77
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
POLB P06746 1/20 0.65
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
CYP3A4 P08684 1/20 0.60
ADORA2A P29274 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
F10 P00742 1/20 0.58
SCD O00767 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL6825568 0.93 RAB9A (0.67) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6821744 0.88 RAB9A (0.72) RAB9ANPC1MEN1KMT2ACYP3A4
SCHEMBL28478360 0.88 RAB9A (1.00) RAB9ANPC1MEN1KMT2APKM
SCHEMBL2753283 0.84 RAB9A (0.92) RAB9ANPC1MEN1KMT2APKM
SCHEMBL4290911 0.82 RAB9A (0.77) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL24073812 0.80 CYP1A2 (0.66) RAB9ANPC1PKMCYP3A4ADORA2A
SCHEMBL30142664 0.80 CYP1A2 (0.66) RAB9ANPC1PKMCYP3A4ADORA2A
SCHEMBL4286353 0.80 ADORA2A (0.73) RAB9ANPC1KMT2APOLBTDP1
SCHEMBL4286244 0.79 RAB9A (0.72) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL14855681 0.79 F10 (0.72) RAB9ANPC1MEN1KMT2APOLB

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
WO-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 WO disclosed