SCHEMBL9877550

SCHEMBL9877550

NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CYP2C19 P33261 1/20 0.71
SLC9A1 P19634 1/20 0.65
KDM4E B2RXH2 5/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 2/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL8338146 0.86 CYP1A2 (0.64) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL5842720 0.85 SLC9A1 (0.74) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL1222870 0.83 SLC9A1 (0.67) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL1199181 0.82 CYP1A2 (0.77) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL3326658 0.82 SLC9A1 (0.66) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL11806267 0.82 CYP1A2 (0.68) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL11159190 0.81 CYP1A2 (0.67) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL31098640 0.81 CYP1A2 (0.64) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL12563573 0.80 CYP1A2 (0.62) CYP1A2CYP2C19SLC9A1KDM4EKMT2A
SCHEMBL4944695 0.80 CYP1A2 (0.62) CYP1A2CYP2C19SLC9A1KDM4EKMT2A

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
US-5023272-A Use of 5-phenyl-2-furan esters and amides as antiepileptic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-06-11 US disclosed
EP-0404231-A1 The use of 5-phenyl-2 furan esters and amides as antiepileptic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP disclosed
US-4403097-A 5-(3-Trifluoromethylphenyl)-2-furancarboxylic acid 2-(1-methylethylidene)hydrazide NORWICH EATON PHARMACEUTICALS, INC. (US) 1983-09-06 US disclosed