SCHEMBL8540573

SCHEMBL8540573

Cc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
NOD2 Q9HC29 2/20 0.52
STAT3 P40763 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GALR3 O60755 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
F2 P00734 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 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
SCHEMBL8545458 0.84 MAPT (0.55) POLBMAPTLMNANOD2STAT3
SCHEMBL8541052 0.84 F2 (0.67) CYP3A4CYP2C9CYP2C19F2
SCHEMBL8542772 0.83 F2 (0.68) POLBMAPTLMNANOD2STAT3
SCHEMBL7335988 0.82 MAPT (0.63) POLBMAPTLMNANOD2STAT3
SCHEMBL7327021 0.81 POLB (0.56) POLBMAPTLMNANOD2STAT3
SCHEMBL7326753 0.80 POLB (0.54) POLBMAPTLMNANOD2STAT3
SCHEMBL8547767 0.80 MAPT (0.56) POLBMAPTLMNANOD2STAT3
SCHEMBL8548405 0.80 MAPT (0.56) POLBMAPTLMNANOD2STAT3
SCHEMBL7334623 0.80 MAPT (0.56) POLBMAPTLMNANOD2STAT3
SCHEMBL8542671 0.78 MAPT (0.54) POLBMAPTLMNANOD2STAT3

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