SCHEMBL22562409

SCHEMBL22562409

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)c(C(F)(F)F)cc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
SCN9A Q15858 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
LCK P06239 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34

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
SCHEMBL22562416 0.97 ACP1 (0.39) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562315 0.94 ALDH1A3 (0.40) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562494 0.94 ACP1 (0.38) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562408 0.94 ACP1 (0.39) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562316 0.93 KIF11 (0.40) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562617 0.92 ALDH1A3 (0.35) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562604 0.91 ACP1 (0.35) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562489 0.91 ACP1 (0.38) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL22562411 0.91 ACP1 (0.39) ACP1SCN9AKDM4EALDH1A1L3MBTL1
SCHEMBL21546757 0.91 ACP1 (0.39) ACP1SCN9AKDM4EALDH1A1L3MBTL1

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed