SCHEMBL9705079

SCHEMBL9705079

CCCCc1nnc(-c2ccc(OCC)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
KDM4E B2RXH2 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HSD17B10 Q99714 4/20 0.61
NPC1 O15118 3/20 0.61
TP53 P04637 3/20 0.61
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
XIAP P98170 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
NOTUM Q6P988 1/20 0.43
NQO1 P15559 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL9704963 0.93 RAB9A (0.55) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702474 0.92 RAB9A (0.63) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702337 0.92 RAB9A (0.53) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9702249 0.88 RAB9A (0.58) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL8742529 0.87 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL8742521 0.87 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL8742485 0.87 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL8742454 0.87 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL8742604 0.87 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL9331485 0.87 RAB9A (0.62) 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