SCHEMBL8548384

SCHEMBL8548384

Cc1cc(OCCNc2ccncc2)cc(N(CC(=O)NCCO)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.62
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8547696 0.93 F2 (0.63) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8542963 0.91 F2 (0.64) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8547585 0.90 F2 (0.57) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8547659 0.90 F2 (0.67) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8548737 0.89 F2 (0.77) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8548163 0.88 F2 (0.81) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8543114 0.84 F2 (0.62) F2ALDH1A1POLB
SCHEMBL8542185 0.84 F2 (0.58) F2ATMMEN1KMT2A
SCHEMBL8545469 0.83 F2 (0.79) F2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL8548135 0.83 F2 (0.61) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed