SCHEMBL7473087

SCHEMBL7473087

NC(=O)C(Br)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
EPHX2 P34913 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE2A O00408 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SCN9A Q15858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL7470489 0.84 EPHX2 (0.47) EPHX1EPHX2ALDH1A1PDE2AKMT2A
SCHEMBL28519919 0.84 EPHX1 (0.51) EPHX1EPHX2SCN10AALDH1A1PDE2A
SCHEMBL7470004 0.81 TRPM8 (0.49) EPHX1ALDH1A1GAAMAPTSCN9A
SCHEMBL954057 0.81 EPHX1 (0.49) EPHX1EPHX2SCN10AALDH1A1PDE2A
SCHEMBL378939 0.80 ALDH1A1 (0.50) EPHX2ALDH1A1PDE2ATRPV1KMT2A
Hydrochloric Acid SCHEMBL28755364 0.79 EPHX1 (0.48) EPHX1EPHX2SCN10AALDH1A1PDE2A
SCHEMBL27181204 0.79 EPHX1 (0.54) EPHX1EPHX2SCN10AALDH1A1PDE2A
SCHEMBL27175927 0.79 CES2 (0.48) EPHX1KMT2A
SCHEMBL22758079 0.78 EPHX1 (0.52) EPHX1EPHX2SCN10AALDH1A1PDE2A
SCHEMBL1938686 0.78 POLB (0.52) EPHX1EPHX2ALDH1A1PDE2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed