SCHEMBL8041875

SCHEMBL8041875

CS(=O)(=O)c1ccc2nc(Sc3nnc(Cc4c[nH]c5ccccc45)n3-c3ccccc3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.45
SSTR4 P31391 3/20 0.42
SSTR1 P30872 2/20 0.42
SSTR3 P32745 2/20 0.42
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8033920 0.86 HTT (0.49) GPR84SSTR4SSTR1SSTR3HTT
SCHEMBL8050043 0.86 MAPT (0.43) SSTR4SSTR3HTTSMN1; SMN2KMT2A
SCHEMBL8043584 0.85 GPR84 (0.44) GPR84HTTSMN1; SMN2LMNANPSR1
SCHEMBL8045236 0.80 SSTR4 (0.41) GPR84SSTR4SSTR1SSTR3SMN1; SMN2
SCHEMBL8033626 0.78 KMT2A (0.42) HTTSMN1; SMN2KMT2ALMNATP53
SCHEMBL8715778 0.77 HTT (0.42) HTTSMN1; SMN2KMT2ALMNATP53
SCHEMBL8034186 0.77 MET (0.41) GPR84SSTR4SSTR1SSTR3KMT2A
SCHEMBL8050073 0.77 GPR84 (0.41) GPR84SSTR4SSTR1SSTR3HTT
SCHEMBL8033967 0.76 CYP1A2 (0.42) GPR84SSTR4SSTR1SSTR3KMT2A
SCHEMBL8043930 0.76 KMT2A (0.44) HTTSMN1; SMN2KMT2ALMNATP53

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