SCHEMBL9704963

SCHEMBL9704963

CCCCCc1nnc(-c2ccc(CCc3ccc(OCC)cc3)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 3/20 0.55
HSD17B10 Q99714 3/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.52
XIAP P98170 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
QPCTL Q9NXS2 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 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
SCHEMBL9702337 0.99 RAB9A (0.53) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL9705079 0.93 RAB9A (0.61) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL9702249 0.91 RAB9A (0.58) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL9702884 0.87 KDM4E (0.68) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL8742580 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL9331485 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL8742485 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL8742502 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL8742454 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL8742604 0.86 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2TP53HSD17B10

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