SCHEMBL9979474

SCHEMBL9979474

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
CBLB Q13191 7/20 0.37
LIPE Q05469 5/20 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
SCHEMBL9979552 0.88 UGCG (0.41) UGCGNPC1RAB9APKMTP53
SCHEMBL9979659 0.84 UGCG (0.43) UGCGNPC1RAB9APKMTP53
SCHEMBL9979554 0.84 UGCG (0.43) UGCGCBLB
SCHEMBL9979597 0.81 UGCG (0.43) UGCGNPC1RAB9APKMTP53
SCHEMBL9979484 0.81 UGCG (0.43) UGCGNPC1RAB9APKMTP53
SCHEMBL9979600 0.80 UGCG (0.42) UGCGNPC1RAB9APKMTP53
SCHEMBL9979599 0.80 NPC1 (0.55) UGCGNPC1RAB9APKMTP53
SCHEMBL9979596 0.79 KDM4E (0.47) UGCGNPC1RAB9APKMTHRB
SCHEMBL9979466 0.77 UGCG (0.44) UGCGNPC1RAB9APKMTP53
SCHEMBL28623206 0.76 NPC1 (0.68) NPC1RAB9APKMTP53MAPT

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