SCHEMBL4646927

SCHEMBL4646927

O=C(O)c1cc(NCc2ccsc2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.52
HCAR2 Q8TDS4 6/20 0.46
HCAR3 P49019 3/20 0.46
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PNP P00491 1/20 0.38
DAO P14920 1/20 0.38
GRM5 P41594 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
SCHEMBL4623217 0.81 HCAR2 (0.58) KDM4CHCAR2DAO
SCHEMBL4620729 0.75 HCAR2 (0.68) KDM4CHCAR2HCAR3NPC1HDAC8
SCHEMBL4648485 0.74 HCAR2 (0.61) KDM4CHCAR2HCAR3MEN1KMT2A
SCHEMBL4648477 0.74 MEN1 (0.39) HCAR2HCAR3MEN1KMT2ADAO
SCHEMBL4646434 0.73 HCAR2 (0.38) KDM4CHCAR2MEN1KMT2ADAO
SCHEMBL4648872 0.70 HCAR3 (0.64) KDM4CHCAR2HCAR3MEN1KMT2A
SCHEMBL3516314 0.69 MEN1 (0.55) HCAR2HCAR3MEN1KMT2ADAO
SCHEMBL15286846 0.69 KDM4C (1.00) KDM4C
SCHEMBL4649196 0.68 HCAR3 (0.53) KDM4CHCAR2HCAR3
Hydrochloric Acid SCHEMBL15286204 0.68 KDM4C (0.97) KDM4C

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