SCHEMBL8034186

SCHEMBL8034186

Brc1nc(Sc2nnc(Cc3c[nH]c4ccccc34)n2-c2ccccc2)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
BACE1 P56817 1/20 0.41
SSTR4 P31391 4/20 0.39
SSTR3 P32745 4/20 0.39
SSTR1 P30872 3/20 0.39
MAPT P10636 2/20 0.39
SSTR2 P30874 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
AHR P35869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 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
SCHEMBL8046381 0.88 GHSR (0.39) METGPR84BACE1SSTR4SSTR3
SCHEMBL8033920 0.85 HTT (0.49) GPR84BACE1SSTR4SSTR3SSTR1
SCHEMBL8714608 0.83 GHSR (0.35) METGPR84BACE1SSTR4SSTR3
SCHEMBL8045394 0.82 GPR84 (0.48) METGPR84BACE1SSTR4SSTR3
SCHEMBL8033967 0.82 CYP1A2 (0.42) GPR84BACE1SSTR4SSTR3SSTR1
SCHEMBL8050073 0.81 GPR84 (0.41) METGPR84BACE1SSTR4SSTR3
SCHEMBL8050059 0.81 GPR84 (0.43) METGPR84BACE1SSTR4SSTR3
SCHEMBL8046975 0.80 GPR84 (0.43) METGPR84BACE1SSTR4SSTR3
SCHEMBL8042999 0.79 BACE1 (0.42) GPR84BACE1SSTR4SSTR3SSTR1
SCHEMBL8043560 0.79 BACE1 (0.45) METGPR84BACE1SSTR4SSTR3

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