SCHEMBL8629414

SCHEMBL8629414

O=C(CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)F)cc2cc1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
STAMBP O95630 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6566297 0.91 KMT2A (0.43) KMT2AMEN1L3MBTL1MRGPRX4MAPT
SCHEMBL8630305 0.84 MRGPRX4 (0.44) MRGPRX4
SCHEMBL8629531 0.84 MRGPRX4 (0.44) MRGPRX4ALDH1A1
SCHEMBL8632231 0.81 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL6565235 0.79 EGLN1 (0.43)
SCHEMBL8631264 0.78 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL8630494 0.77 SMN1; SMN2 (0.51) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL8630092 0.77 MAPK14 (0.45) KMT2AMEN1L3MBTL1MRGPRX4
SCHEMBL6567174 0.77 GAA (0.45) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL6567478 0.77 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed