SCHEMBL29331685

SCHEMBL29331685

N#Cc1c(-c2ccc(C(F)(F)F)c(F)c2)c(=O)c2cc3c(C#N)c(-c4ccc(C(F)(F)F)c(F)c4)c(=O)c3cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.52
ALDH1A1 P00352 4/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
GLA P06280 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ATM Q13315 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
AR P10275 1/20 0.36
IDO1 P14902 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
SCHEMBL29331618 1.00 KIF11 (0.52) KIF11ALDH1A1GAAKDM4EHTT
SCHEMBL29323058 0.88 KIF11 (0.49) KIF11ALDH1A1GAAKDM4EHTT
SCHEMBL29317966 0.84 IDO1 (0.49) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL24541434 0.77 AR (0.48) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL21082923 0.75 ALDH1A1 (0.35) KIF11ALDH1A1GAAKDM4EHTT
SCHEMBL29317473 0.74 AR (0.50) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL29323655 0.73 AR (0.52) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL18916730 0.72 TNKS (0.39) KIF11AR
SCHEMBL29331647 0.71 ALDH1A1 (0.41) KIF11ALDH1A1GAAKDM4EHTT
SCHEMBL24541453 0.71 ADORA1 (0.39) KIF11ALDH1A1GAAKDM4EHTT

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-20240244964-A1 ORGANIC ELECTRONIC ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244962-A1 ORGANIC ELECTRONIC ELEMENT AND DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed