SCHEMBL9704965

SCHEMBL9704965

CCOc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
KDM4E B2RXH2 7/20 0.60
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HSD17B10 Q99714 4/20 0.60
TP53 P04637 3/20 0.60
MAPT P10636 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 1/20 0.42
NOTUM Q6P988 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NQO1 P15559 1/20 0.41
QPCTL Q9NXS2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9702249 0.90 RAB9A (0.58) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9704963 0.86 RAB9A (0.55) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702337 0.85 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702474 0.85 RAB9A (0.63) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702825 0.84 RAB9A (0.47) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9705079 0.84 RAB9A (0.61) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702798 0.84 RAB9A (0.61) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702831 0.83 RAB9A (0.50) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9702998 0.79 RAB9A (0.66) RAB9AKDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL6660601 0.77 KDM4E (0.47) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed