SCHEMBL22562567

SCHEMBL22562567

Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1-c1cccc(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.37
CTSS P25774 1/20 0.37
GRM5 P41594 2/20 0.35
ALDH1A3 P47895 1/20 0.34
SCN9A Q15858 3/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 2/20 0.33
TRPA1 O75762 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 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
SCHEMBL22562573 0.91 CTSS (0.39) MAT2ACTSSGRM5ALDH1A3SCN9A
SCHEMBL22562232 0.88 GSK3B (0.35) MAT2AKDM4EMAPTGSK3BLMNA
SCHEMBL22562483 0.87 CTSS (0.39) MAT2ACTSSALDH1A3SYKABCB1
SCHEMBL22562305 0.87 ALDH1A3 (0.43) MAT2ACTSSGRM5ALDH1A3TRPA1
SCHEMBL22562574 0.86 CTSS (0.41) MAT2ACTSSGRM5ALDH1A3SCN9A
SCHEMBL22562572 0.85 CTSS (0.39) MAT2ACTSSGRM5ALDH1A3SCN9A
SCHEMBL22562479 0.85 ALDH1A3 (0.37) MAT2ACTSSALDH1A3KDM4EMAPT
SCHEMBL22562304 0.85 CTSS (0.37) MAT2ACTSSALDH1A3SYKABCB1
SCHEMBL22562518 0.85 CTSS (0.38) MAT2ACTSSGRM5ALDH1A3TRPA1
SCHEMBL22760728 0.84 MAT2A (0.43) MAT2AGRM5L3MBTL1TRPA1SYK

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