SCHEMBL8543743

SCHEMBL8543743

O=C(COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)Nc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.68
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 3/20 0.55
NOTUM Q6P988 1/20 0.54
PKM P14618 2/20 0.54
NAMPT P43490 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GALR3 O60755 1/20 0.53
STAT3 P40763 1/20 0.53

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
SCHEMBL7330380 0.91 F2 (0.69) F2KMT2AMEN1KDM4EGAA
SCHEMBL7327269 0.90 F2 (0.66) F2KMT2AMEN1KDM4ELMNA
SCHEMBL8548599 0.90 F2 (0.68) F2KMT2AMEN1KDM4EGAA
SCHEMBL7359983 0.88 ROCK2 (0.62) F2KMT2AMEN1KDM4EGAA
SCHEMBL8544004 0.88 F2 (0.70) F2KMT2AMEN1KDM4ELMNA
SCHEMBL7335570 0.82 CYP19A1 (0.61) F2HSD17B10LMNAPKMALDH1A1
SCHEMBL7357930 0.82 KMT2A (0.55) F2KMT2AMEN1GAALMNA
Hydrochloric Acid SCHEMBL8543551 0.80 F2 (0.98) F2ALDH1A1
SCHEMBL7336884 0.80 GALR3 (0.64) KMT2AMEN1LMNAPKMGALR3
SCHEMBL7329316 0.80 LMNA (0.59) F2KMT2AMEN1KDM4ELMNA

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