SCHEMBL8042548

SCHEMBL8042548

CCn1nnc(Sc2ncc(Cl)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8042849 0.89 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1NPC1TP53RAB9A
SCHEMBL8046313 0.87 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL8037025 0.81 MEN1 (0.37)
SCHEMBL8043914 0.80
SCHEMBL8045389 0.79 RXRA (0.40) TRPM8SMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL8044714 0.78 RAB9A (0.34) SMN1; SMN2LMNAALDH1A1NPC1TP53
SCHEMBL8044450 0.78 MAPK8 (0.52) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL8045169 0.77
SCHEMBL8050943 0.74 FBP1 (0.42) TRPM8SMN1; SMN2LMNA
SCHEMBL8710115 0.72 FBP1 (0.30)

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