SCHEMBL31533751

SCHEMBL31533751

Nc1ccc(-c2c(OC(F)(F)F)c(OC(F)(F)F)c(N)c(OC(F)(F)F)c2OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.30
ACHE P22303 2/20 0.30

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
SCHEMBL31533766 0.78 KIF11 (0.35) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL31533761 0.76
SCHEMBL31533765 0.74 KIF11 (0.35) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL31533736 0.73 KIF11 (0.41) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL1242144 0.71 KIF11 (0.52) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL31533744 0.70 KIF11 (0.38) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL3472998 0.70 KIF11 (0.38) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL3788846 0.69 TDP1 (0.44) TDP1ALDH1A1CYP3A4TP53KDM4E
Hydrochloric Acid SCHEMBL29386875 0.69 KIF11 (0.50) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL5073 0.68 TDP1 (0.50) KIF11TDP1ALDH1A1CYP3A4TP53

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
WO-2025074873-A1 POLYAMIDIMIDE, RESIN COMPOSITION, MOLDED ARTICLE, AND FILM 株式会社カネカ 2025-04-10 WO disclosed
WO-2025063230-A1 POLYIMIDE, RESIN COMPOSITION, MOLDED OBJECT, AND FILM 株式会社カネカ 2025-03-27 WO disclosed