SCHEMBL7328941

SCHEMBL7328941

CCOC(=O)COc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
HIF1A Q16665 1/20 0.54
GAA P10253 2/20 0.54
KAT6A Q92794 1/20 0.53
PKM P14618 2/20 0.52
PKLR P30613 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 2/20 0.50
AR P10275 1/20 0.50
RAPGEF3 O95398 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL7325766 0.89 ALDH1A1 (0.58) F2KMT2AALDH1A1MEN1GAA
SCHEMBL7337150 0.88 ALDH1A1 (0.60) F2ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL7324605 0.87 ALDH1A1 (0.59) F2ALDH1A1GAAPKMSMN1; SMN2
SCHEMBL7334399 0.86 GPR119 (0.62) F2ALDH1A1HIF1AGAAPKM
SCHEMBL7324125 0.85 F2 (0.60) F2KMT2AALDH1A1MEN1GAA
SCHEMBL7336019 0.84 BRAF (0.51) ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7327897 0.83 IDH1 (0.57) F2KMT2AALDH1A1HIF1APKM
SCHEMBL7336870 0.82 IDH1 (0.61) KMT2AALDH1A1MEN1HIF1AGAA
SCHEMBL7319886 0.81 LMNA (0.69) KMT2AALDH1A1MEN1HIF1AGAA
SCHEMBL8544004 0.79 F2 (0.70) F2KMT2AALDH1A1MEN1PKM

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 3 patents. 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
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed