SCHEMBL4647559

SCHEMBL4647559

CCOC(=O)c1cc(N(Cc2ccccc2)Cc2ccsc2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.53
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP13 P45452 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL4647955 0.90 TP53 (0.53) HCAR3KMT2ATP53THRBPOLB
SCHEMBL4648872 0.86 HCAR3 (0.64) HCAR3HCAR2KMT2AMMP13MMP1
SCHEMBL4648485 0.81 HCAR2 (0.61) HCAR3HCAR2KMT2ATRPM8
SCHEMBL4649196 0.76 HCAR3 (0.53) HCAR3HCAR2MMP13MMP1
SCHEMBL4648280 0.74 HCAR3 (0.67) HCAR3HCAR2KMT2APOLBTRPM8
SCHEMBL4621634 0.74 HCAR2 (0.56) HCAR3HCAR2MMP13MMP1
SCHEMBL4647495 0.73 HCAR3 (0.49) HCAR3HCAR2KMT2ATP53POLB
SCHEMBL4648191 0.72 HCAR3 (0.51) HCAR3HCAR2KMT2APOLBTRPM8
SCHEMBL4647555 0.70 POLB (0.43) KMT2ATP53THRBPOLBNPSR1
SCHEMBL12827154 0.70 THRB (0.52) KMT2ATP53THRBPOLBNPSR1

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 2 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 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