SCHEMBL4647955

SCHEMBL4647955

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HCAR3 P49019 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
HPGDS O60760 1/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4647559 0.90 HCAR3 (0.53) TP53THRBPOLBKMT2AALDH1A1
SCHEMBL4621634 0.82 HCAR2 (0.56) HCAR3
SCHEMBL12827154 0.78 THRB (0.52) TP53THRBPOLBKMT2ANPSR1
SCHEMBL12703567 0.77 HCAR2 (0.67) TP53THRBPOLBKMT2ASMN1; SMN2
SCHEMBL20341037 0.76 THRB (0.51) TP53THRBPOLBKMT2ANPSR1
SCHEMBL1150081 0.76 POLB (0.53) TP53THRBPOLBKMT2AALDH1A1
SCHEMBL4648929 0.75 SMN1; SMN2 (0.58) TP53THRBPOLBKMT2AALDH1A1
SCHEMBL15932197 0.74 POLB (0.51) TP53THRBPOLBKMT2AALDH1A1
SCHEMBL69842 0.74 KMT2A (0.64) TP53THRBPOLBKMT2AALDH1A1
SCHEMBL8284647 0.73 POLB (0.53) TP53THRBPOLBKMT2AALDH1A1

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