SCHEMBL9702798

SCHEMBL9702798

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
KDM4E B2RXH2 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HSD17B10 Q99714 4/20 0.61
NPC1 O15118 4/20 0.61
TP53 P04637 3/20 0.61
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.46
DCTPP1 Q9H773 1/20 0.45
NOTUM Q6P988 1/20 0.43
NQO1 P15559 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL9704965 0.84 RAB9A (0.60) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702249 0.82 RAB9A (0.58) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9704090 0.82 RAB9A (0.47) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702334 0.82 RAB9A (0.51) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL20715892 0.80 RAB9A (0.53) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9704963 0.79 RAB9A (0.55) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9703202 0.78 RAB9A (0.68) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702337 0.78 RAB9A (0.53) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702474 0.77 RAB9A (0.63) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL23329317 0.77 SMN1; SMN2 (0.46) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1

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