SCHEMBL8046381

SCHEMBL8046381

CC(C)(C)c1nc(Sc2nnc(Cc3c[nH]c4ccccc34)n2-c2ccccc2)sc1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.39
MET P08581 1/20 0.38
BACE1 P56817 1/20 0.38
GPR84 Q9NQS5 5/20 0.38
SSTR4 P31391 3/20 0.37
SSTR3 P32745 3/20 0.37
SSTR1 P30872 2/20 0.37
SSTR2 P30874 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL8714608 0.94 GHSR (0.35) GHSRMETBACE1GPR84SSTR4
SCHEMBL8034186 0.88 MET (0.41) METBACE1GPR84SSTR4SSTR3
SCHEMBL8033920 0.82 HTT (0.49) BACE1GPR84SSTR4SSTR3SSTR1
SCHEMBL8042999 0.80 BACE1 (0.42) GHSRBACE1GPR84SSTR4SSTR3
SCHEMBL8033967 0.80 CYP1A2 (0.42) GHSRBACE1GPR84SSTR4SSTR3
SCHEMBL8050073 0.79 GPR84 (0.41) METBACE1GPR84SSTR4SSTR3
SCHEMBL8045394 0.78 GPR84 (0.48) METBACE1GPR84SSTR4SSTR3
SCHEMBL8050059 0.77 GPR84 (0.43) GHSRMETBACE1GPR84SSTR4
SCHEMBL8046975 0.77 GPR84 (0.43) GHSRMETBACE1GPR84SSTR4
SCHEMBL8046642 0.76 ALDH1A1 (0.36) MAPTALDH1A1LMNA

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