SCHEMBL9728319

SCHEMBL9728319

[CH2]c1ccc(-c2csc(C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
RAB9A P51151 6/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 5/20 0.56
RECQL P46063 3/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
ESR2 Q92731 1/20 0.56
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.49
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL2615402 0.83 GAA (0.65) GAARAB9AKDM4EPOLBHTT
SCHEMBL1764515 0.80 RAB9A (0.64) GAARAB9AKDM4EPOLBHTT
SCHEMBL225793 0.80 RECQL (0.64) GAARAB9AKDM4EPOLBHTT
SCHEMBL2405184 0.80 RAB9A (0.71) GAARAB9AKDM4EPOLBHTT
SCHEMBL1434288 0.80 GAA (0.66) GAARAB9AKDM4EPOLBHTT
SCHEMBL1764592 0.80 RAB9A (0.61) GAARAB9AKDM4EPOLBHTT
SCHEMBL9528793 0.80 KDM4E (0.63) GAARAB9AKDM4EPOLBHTT
SCHEMBL17790891 0.80 GAA (0.61) GAARAB9AKDM4EPOLBHTT
SCHEMBL155616 0.79 RECQL (0.62) GAARAB9AKDM4EPOLBHTT
SCHEMBL9571659 0.79 KDM4E (0.59) GAARAB9AKDM4EPOLBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed