SCHEMBL8068086

SCHEMBL8068086

Nc1ccc(-c2ccc(NC(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
TP53 P04637 2/20 0.50
TAAR1 Q96RJ0 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 2/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNE2 O96020 1/20 0.36

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
SCHEMBL6313165 0.93 MAPT (0.42) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL29409552 0.88 KIF11 (0.44) KIF11HTTL3MBTL1SMN1; SMN2
SCHEMBL7003928 0.79 KIF11 (0.50) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL17615518 0.77 ALDH1A1 (0.50) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL8187904 0.77 GLA (0.50) KIF11
SCHEMBL1098042 0.73 CYP3A4 (0.58) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL9518383 0.72 MAPT (0.67) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL351125 0.72 MAPT (0.67) KIF11ALDH1A1CYP3A4TDP1TP53
SCHEMBL6301188 0.72 MAPT (0.67) KIF11ALDH1A1CYP3A4TDP1TP53
Benzidine SCHEMBL29021 0.71 CYP3A4 (1.00) KIF11ALDH1A1CYP3A4TDP1TP53

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
US-6013759-A Polyamideimide for optical communications and method for preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-01-11 US disclosed