SCHEMBL8043894

SCHEMBL8043894

Cc1csc(Sc2nnc(C)s2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NOS1 P29475 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

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
SCHEMBL8043155 0.81 NPSR1 (0.49) TSHRMAPTPKMNPC1RAB9A
SCHEMBL8043474 0.79 MEN1 (0.53) GAAGLATSHRMAPTPOLB
SCHEMBL8033855 0.79 SMN1; SMN2 (0.33) GAAGLATSHRMAPTPOLB
SCHEMBL8032615 0.79 SMN1; SMN2 (0.33) GAAGLATSHRMAPTPOLB
SCHEMBL8033099 0.78 MEN1 (0.43) GAAGLATSHRMAPTPOLB
SCHEMBL8045097 0.78 RAB9A (0.35) GAAGLATSHRMAPTPOLB
SCHEMBL8043606 0.76 MEN1 (0.42) GAAGLATSHRMAPTPOLB
SCHEMBL8046339 0.75 POLB (0.41) GAAGLATSHRMAPTPOLB
SCHEMBL8032700 0.75 HTR1A (0.49) GAAMAPTPKMPOLBNPC1
SCHEMBL8034279 0.75 HDAC6 (0.45) GAAMAPTPKMPOLBNPC1

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