SCHEMBL9979659

SCHEMBL9979659

O=C1c2cccc(Br)c2CN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.43
CBLB Q13191 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
THRB P10828 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPE Q05469 4/20 0.37
OPRL1 P41146 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9979597 0.85 UGCG (0.43) UGCGNPC1RAB9APKMTHRB
SCHEMBL9979474 0.84 UGCG (0.41) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979553 0.83 UGCG (0.43) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979552 0.81 UGCG (0.41) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979596 0.81 KDM4E (0.47) UGCGNPC1RAB9APKMTHRB
SCHEMBL9979466 0.80 UGCG (0.44) UGCGNPC1RAB9APKMTHRB
SCHEMBL28623206 0.79 NPC1 (0.68) NPC1RAB9APKMTHRBTP53
SCHEMBL9979662 0.78 NPC1 (0.59) UGCGCBLBNPC1RAB9APKM
SCHEMBL10086535 0.75 CBLB (0.52) UGCGCBLBNPC1RAB9APKM
SCHEMBL4419914 0.74 CCR9 (0.47) TRPM8MAPTPOLBL3MBTL1

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed