SCHEMBL4648280

SCHEMBL4648280

O=C(O)c1cc(N(Cc2ccsc2)Cc2cccs2)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.67
HCAR2 Q8TDS4 2/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 2/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 4/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL4648485 0.90 HCAR2 (0.61) HCAR3HCAR2MEN1KMT2ATRPM8
SCHEMBL4648283 0.90 HCAR3 (0.61) HCAR3HCAR2MEN1KMT2APOLB
SCHEMBL4648872 0.88 HCAR3 (0.64) HCAR3HCAR2MEN1KMT2ARAB9A
SCHEMBL4647495 0.83 HCAR3 (0.49) HCAR3HCAR2MEN1KMT2ASMN1; SMN2
SCHEMBL4648191 0.83 HCAR3 (0.51) HCAR3HCAR2MEN1KMT2APOLB
SCHEMBL4649196 0.82 HCAR3 (0.53) HCAR3HCAR2
SCHEMBL4621634 0.76 HCAR2 (0.56) HCAR3HCAR2
SCHEMBL4647559 0.74 HCAR3 (0.53) HCAR3HCAR2KMT2ASMN1; SMN2POLB
SCHEMBL4647131 0.72 HCAR2 (0.62) HCAR3HCAR2MEN1KMT2A
SCHEMBL4648554 0.70 HCAR3 (0.61) HCAR3HCAR2MEN1KMT2APOLB

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