SCHEMBL8548504

SCHEMBL8548504

COc1ccccc1S(=O)(=O)N(CC(=O)NCCN)c1cc(C)cc(OCCNc2ccncc2)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.81
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL8548163 0.94 F2 (0.81) F2MEN1POLBKMT2AALDH1A1
SCHEMBL8545469 0.92 F2 (0.79) F2MEN1POLBKMT2AALDH1A1
SCHEMBL8544521 0.91 F2 (0.84) F2MEN1KMT2AHPGD
SCHEMBL8543337 0.89 F2 (0.86) F2HPGD
SCHEMBL8546991 0.88 F2 (0.75) F2MEN1POLBKMT2AALDH1A1
SCHEMBL8547696 0.88 F2 (0.63) F2MEN1POLBKMT2AALDH1A1
SCHEMBL8543009 0.88 F2 (0.79) F2
SCHEMBL8547320 0.88 F2 (0.84) F2HPGD
SCHEMBL8546720 0.86 F2 (0.82) F2
SCHEMBL8547339 0.83 F2 (0.75) 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