SCHEMBL8045236

SCHEMBL8045236

CS(=O)(=O)c1cnc(Sc2nnc(Cc3c[nH]c4ccccc34)n2-c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.41
GPR84 Q9NQS5 6/20 0.41
SSTR1 P30872 4/20 0.40
SSTR3 P32745 4/20 0.40
BACE1 P56817 1/20 0.40
MET P08581 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GHSR Q92847 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8050059 0.84 GPR84 (0.43) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8043560 0.84 BACE1 (0.45) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8042613 0.82 GPR84 (0.40) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8041875 0.80 GPR84 (0.45) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8042828 0.80 LMNA (0.42) SSTR4GPR84SSTR3BACE1MET
SCHEMBL8046975 0.79 GPR84 (0.43) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8033920 0.78 HTT (0.49) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8033967 0.78 CYP1A2 (0.42) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8034186 0.77 MET (0.41) SSTR4GPR84SSTR1SSTR3BACE1
SCHEMBL8045394 0.76 GPR84 (0.48) SSTR4GPR84SSTR1SSTR3BACE1

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