SCHEMBL4648190

SCHEMBL4648190

CC(Nc1cc(C(=O)O)n[nH]1)(c1ccoc1)c1ccsc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.32
DAO P14920 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HCAR3 P49019 1/20 0.30

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
SCHEMBL4647490 0.84 MAPT (0.40) HCAR2DAOMEN1KMT2APOLB
SCHEMBL4648277 0.80 KMT2A (0.42) HCAR2DAOMEN1KMT2APOLB
SCHEMBL4646927 0.65 KDM4C (0.52) HCAR2DAOMEN1KMT2AHCAR3
SCHEMBL4648548 0.64 MEN1 (0.39) HCAR2DAOMEN1KMT2APOLB
SCHEMBL4648477 0.64 MEN1 (0.39) HCAR2DAOMEN1KMT2APOLB
SCHEMBL4648191 0.62 HCAR3 (0.51) HCAR2MEN1KMT2APOLBMAPT
SCHEMBL19872124 0.61 CHRM3 (0.34)
SCHEMBL3516314 0.60 MEN1 (0.55) HCAR2DAOMEN1KMT2APOLB
SCHEMBL13933304 0.58 HCAR2 (0.53) HCAR2DAOHCAR3
SCHEMBL4809652 0.57 CYP1A2 (0.42) HCAR2MEN1KMT2APOLBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP claimed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO claimed
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed