SCHEMBL8964782

SCHEMBL8964782

CCn1c2ccccc2c2cc(O)c(-c3nc4ccc(C)cc4o3)c(F)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL8964550 0.81 RPS6KA3 (0.46) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL8964836 0.79 CNR2 (0.31) KDM4EESR1ESR2
SCHEMBL8964877 0.71 ALDH1A1 (0.43) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL8964781 0.70 NPC1 (0.52) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL8964790 0.67 RPS6KA3 (0.53) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL12304267 0.66 HSD17B10 (0.66) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL802768 0.65 HSD17B10 (0.60) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL8964793 0.65 RPS6KA3 (0.54) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL27817965 0.64 NPY5R (0.52) NPC1RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL8964898 0.63 RPS6KA3 (0.49) NPC1RAB9AHSD17B10KDM4EALDH1A1

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed