SCHEMBL20920802

SCHEMBL20920802

Nc1ccc(C(F)(c2ccc(N)c(N)c2)C(F)(F)C(F)(F)F)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTPN5 P54829 2/20 0.33
GFER P55789 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL25211449 0.82 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EPKM
SCHEMBL5145634 0.82 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL272276 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL272332 0.82 HSD17B10 (0.43) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL28097878 0.79 AOC1 (0.32) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL28401754 0.77 MEN1 (0.42) ALDH1A1MEN1KMT2AKDM4EPKM
SCHEMBL28370211 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EPKM
SCHEMBL296596 0.77 ESR1 (0.44) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL11178485 0.77 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL5958675 0.77 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AKDM4E

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
CN-109996832-A Polymer, composition and molded product 大金工业株式会社 2019-07-09 CN disclosed
WO-2019078238-A1 CROSSLINKABLE ELASTOMER COMPOSITION AND FLUORORUBBER MOLDED ARTICLE ダイキン工業株式会社 2019-04-25 WO disclosed