SCHEMBL8043643

SCHEMBL8043643

c1csc(-c2nnc(Sc3nccs3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 9/20 0.49
HSD17B10 Q99714 6/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 9/20 0.39
HPGD P15428 7/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FBP1 P09467 1/20 0.39
PDK1 Q15118 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 5/20 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
SCHEMBL8045096 0.80 PDPK1 (0.51) KDM4EALDH1A1KMT2AMEN1FBP1
SCHEMBL8048142 0.78 KDM4E (0.45) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8042588 0.77 KDM4E (0.46) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8050088 0.75 KDM4E (0.45) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8052069 0.74 RAB9A (0.60) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8050726 0.74 KDM4E (0.44) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL11991177 0.74 KDM4E (0.73) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8046537 0.73 MAPK8 (0.57) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL8050078 0.73 KDM4E (0.40) KDM4EALDH1A1HSD17B10EPHX2RAB9A
SCHEMBL4648 0.72 PDPK1 (0.56) KDM4EALDH1A1HSD17B10EPHX2RAB9A

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