SCHEMBL6992402

SCHEMBL6992402

CCOc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.80
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FLT3 P36888 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL7000363 0.89 NPY5R (1.00) NPY5RCSNK2A2CSNK2A1
SCHEMBL6998964 0.86 NPY5R (0.78) NPY5RFLT3USP30
SCHEMBL6996207 0.85 NPY5R (1.00) NPY5RCSNK2A2CSNK2A1ABL1USP30
SCHEMBL6992743 0.85 NPY5R (1.00) NPY5RMEN1KMT2AUSP30
SCHEMBL6990465 0.84 NPY5R (0.95) NPY5RMAPTUSP30
SCHEMBL6999825 0.84 NPY5R (0.74) NPY5RMAPTFLT3USP30
SCHEMBL6996444 0.82 NPY5R (0.86) NPY5RMEN1KMT2ACSNK2A2CSNK2A1
SCHEMBL1119035 0.82 NPY5R (1.00) NPY5RMAPTUSP30
SCHEMBL6996416 0.82 NPY5R (0.82) NPY5RUSP30
SCHEMBL7000276 0.82 NPY5R (0.78) NPY5RUSP30

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP claimed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed