SCHEMBL8548405

SCHEMBL8548405

Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 3/20 0.53
LMNA P02545 3/20 0.53
NOD2 Q9HC29 2/20 0.53
STAT3 P40763 2/20 0.53
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
GALR3 O60755 1/20 0.49
F2 P00734 1/20 0.48
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 1/20 0.46
MEN1 O00255 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
SCHEMBL7334623 0.92 MAPT (0.56) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL8547767 0.92 MAPT (0.56) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL8542671 0.91 MAPT (0.54) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL7327021 0.88 POLB (0.56) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL7335988 0.87 MAPT (0.63) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL7326753 0.86 POLB (0.54) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL8545458 0.83 MAPT (0.55) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL8542446 0.83 MAPT (0.53) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL8547686 0.83 F2 (0.70) F2KMT2A
SCHEMBL8547066 0.82 SLC22A12 (0.53) MAPTHPGDALDH1A1POLBLMNA

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