SCHEMBL27414569

SCHEMBL27414569

N#Cc1c(C(F)(F)F)cc(C(F)(F)F)c(C#N)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.46
GAA P10253 12/20 0.46
KDM4E B2RXH2 12/20 0.46
HPGD P15428 11/20 0.46
GLA P06280 9/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 2/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL25983363 0.84 KDM4E (0.47) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL30084378 0.82 ALDH1A1 (0.49) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL27414564 0.77 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL7926453 0.77 NOTUM (0.42) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL27257076 0.77 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL7958450 0.77 KDM4E (0.38) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL7920528 0.75 KIF11 (0.42) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL22866425 0.75 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL9393922 0.74 MEN1 (0.46) ALDH1A1HPGDTP53KMT2AMEN1
SCHEMBL25983339 0.74 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHPGDGLA

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
WO-2024125834-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING A COMPOUND OF FORMULA (I) AS WELL AS COMPOUNDS OF FORMULA (IA) NOVALED GMBH (DE) 2024-06-20 WO disclosed