SCHEMBL4645294

SCHEMBL4645294

O=C(O)c1cc(N(Cc2ccc(Br)s2)Cc2ccc(Br)s2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.38
DAO P14920 2/20 0.36
HCAR3 P49019 1/20 0.36
AR P10275 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 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
SCHEMBL4621556 0.84 HCAR2 (0.43) HCAR2DAOHCAR3
SCHEMBL4648283 0.77 HCAR3 (0.61) HCAR2HCAR3MEN1KMT2APOLB
SCHEMBL4621634 0.75 HCAR2 (0.56) HCAR2DAOHCAR3
SCHEMBL4646434 0.74 HCAR2 (0.38) HCAR2DAOMEN1KMT2APOLB
SCHEMBL4648485 0.72 HCAR2 (0.61) HCAR2DAOHCAR3MEN1KMT2A
SCHEMBL4648554 0.72 HCAR3 (0.61) HCAR2DAOHCAR3MEN1KMT2A
SCHEMBL4648492 0.71 HCAR2 (0.46) HCAR2DAOHCAR3
SCHEMBL4648280 0.69 HCAR3 (0.67) HCAR2HCAR3MEN1KMT2APOLB
SCHEMBL4648632 0.69 HCAR3 (0.61) HCAR2DAOHCAR3MEN1KMT2A
SCHEMBL4647131 0.68 HCAR2 (0.62) HCAR2HCAR3MEN1KMT2A

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