SCHEMBL8048162

SCHEMBL8048162

FC(F)(F)Oc1ccc(-c2nnc(S)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.41
ALPI P09923 1/20 0.41
SCN5A Q14524 8/20 0.40
NISCH Q9Y2I1 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 2/20 0.38
CYP1A2 P05177 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL31536884 0.80 KDM4E (0.63) SCN5ASCN2AKDM4EALDH1A1MAPT
SCHEMBL14557099 0.80 KDM4E (0.43) KDM4EALDH1A1MAPTTP53HSD17B10
SCHEMBL8050331 0.77 KIF11 (0.44) P2RY1KDM4EALDH1A1MAPTNPC1
SCHEMBL13401040 0.77 KDM4E (0.64) KDM4EALDH1A1MAPTTP53HSD17B10
SCHEMBL23923175 0.76 P2RY1 (0.39) P2RY1ALPISCN5ANISCHSCN1A
SCHEMBL25397725 0.76 P2RY1 (0.39) P2RY1ALPISCN5ANISCHSCN1A
SCHEMBL8044729 0.74 SMN1; SMN2 (0.43) KDM4EMAPTCYP1A2NPC1RAB9A
SCHEMBL22897980 0.73 ALOX5AP (0.41) P2RY1ALPISCN5ASCN1ASCN2A
SCHEMBL29379022 0.71 SCN5A (0.44) P2RY1ALPISCN5ANISCHSCN1A
SCHEMBL14424574 0.71 RAB9A (0.68) KDM4EALDH1A1MAPTTP53HSD17B10

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed