SCHEMBL8545458

SCHEMBL8545458

Cc1cc(NS(=O)(=O)c2c(F)cccc2F)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 4/20 0.52
STAT3 P40763 3/20 0.52
NOD2 Q9HC29 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
F2 P00734 1/20 0.52
GALR3 O60755 3/20 0.50
HSP90AA1 P07900 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL7326753 0.89 POLB (0.54) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL7335988 0.86 MAPT (0.63) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL8547767 0.85 MAPT (0.56) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL8542772 0.85 F2 (0.68) MAPTPOLBKDM4EGAALMNA
SCHEMBL8540573 0.84 POLB (0.52) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL8548405 0.83 MAPT (0.56) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL7334623 0.83 MAPT (0.56) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL7327021 0.83 POLB (0.56) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL8542767 0.83 F2 (0.74) F2
SCHEMBL8542671 0.82 MAPT (0.54) MAPTALDH1A1HPGDPOLBKDM4E

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