SCHEMBL3584103

SCHEMBL3584103

FC(F)(F)Oc1cccc(CCNCc2ccc(C(F)(F)C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 6/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CETP P11597 1/20 0.43
MAPK14 Q16539 1/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
DAO P14920 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5175871 0.90 BCHE (0.49) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL3272263 0.88 KDM4E (0.50) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL3581357 0.88 KMT2A (0.61) KDM4EMEN1KMT2ABCHECHRM2
SCHEMBL3387196 0.82 BCHE (0.49) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL3581270 0.82 BCHE (0.52) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL3574201 0.82 KDM4E (0.55) KDM4ECNR1MEN1KMT2ASCN8A
SCHEMBL9957662 0.81 CNR1 (0.49) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL5176588 0.81 CNR1 (0.46) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL5175899 0.80 KDM4E (0.58) KDM4ECNR1MEN1KMT2ABCHE
SCHEMBL5227133 0.80 CETP (0.50) KDM4ECNR1MEN1KMT2ABCHE

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed