SCHEMBL4648929

SCHEMBL4648929

CCOC(=O)c1cc(NCc2ccccc2)[nH]n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
NPSR1 Q6W5P4 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CASP3 P42574 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL28644530 0.83 POLB (0.62) SMN1; SMN2POLBTP53THRBNPSR1
SCHEMBL5599416 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBTP53THRBNPSR1
SCHEMBL4623217 0.82 HCAR2 (0.58) KDM4EHCAR2
SCHEMBL13369577 0.79 NPSR1 (0.52) POLBTP53THRBNPSR1KMT2A
SCHEMBL25312921 0.78 NPSR1 (0.47) POLBTP53THRBNPSR1KMT2A
SCHEMBL12703567 0.78 HCAR2 (0.67) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL23943148 0.78 NPSR1 (0.47) POLBTP53THRBNPSR1KMT2A
SCHEMBL1150081 0.77 POLB (0.53) SMN1; SMN2POLBTP53THRBNPSR1
SCHEMBL14587608 0.76 NPSR1 (0.50) POLBTP53THRBNPSR1KMT2A
SCHEMBL4647955 0.75 TP53 (0.53) SMN1; SMN2POLBTP53THRBNPSR1

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