SCHEMBL24254807

SCHEMBL24254807

Fc1c(F)c(F)c(-c2c(F)c(F)c(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5c(F)c(F)c(-c6c(F)c(F)c(F)c(F)c6F)c(F)c5F)cc4)cc3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CRHR2 Q13324 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PKM P14618 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL24254694 0.92 ALDH1A1 (0.35) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL20100709 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16215950 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL24254797 0.82 MGLL (0.34)
SCHEMBL12937152 0.81 MAPT (0.30) MAPT
SCHEMBL24254649 0.80 KIF11 (0.36)
SCHEMBL16871749 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL13826009 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL24254708 0.78 CYP2C19 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL24254698 0.78 AKR1C2 (0.34) ALDH1A1

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-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed