SCHEMBL31533736

SCHEMBL31533736

Nc1ccc(-c2c(OC(F)(F)F)cc(N)cc2OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

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
TAAR1 Q96RJ0 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
TRPA1 O75762 1/20 0.31
PDK2 Q15119 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL31533743 0.84 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4ALOX5APFEN1
SCHEMBL31533735 0.83 ALDH1A1 (0.35) ALDH1A1CYP3A4TP53KDM4EHSD17B10
SCHEMBL31533766 0.81 KIF11 (0.35) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL2141965 0.79 GLA (0.42) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL31533741 0.79 GAA (0.42) CYP3A4TP53ALOX5APFEN1KDM4E
Hydrochloric Acid SCHEMBL28045031 0.78 GLA (0.41) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL14744335 0.76 GRIA1 (0.39) GRIA1CACNG8GRIN2BPDK2
SCHEMBL7789671 0.76 TDP1 (0.47) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL9367414 0.75 GAA (0.40) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL31533742 0.74 ALDH1A1 (0.35) ALDH1A1CYP3A4TP53KDM4EHSD17B10

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