SCHEMBL23679113

SCHEMBL23679113

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c4)c3c2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDPK1 O15530 1/20 0.33
SCN9A Q15858 2/20 0.32
AR P10275 7/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23679161 0.98 XDH (0.35) XDHALOX5APFEN1PDPK1AR
SCHEMBL23543520 0.93 AR (0.38) PDPK1SCN9AARABCG2USP1
SCHEMBL23543395 0.92 XDH (0.35) XDHALOX5APFEN1PDPK1ABCG2
SCHEMBL23679110 0.92 PDPK1 (0.36) PDPK1ABCG2USP1WDR48
SCHEMBL23679109 0.91 CYP1A2 (0.36) PDPK1ABCG2TRPA1ALDH1A1LMNA
SCHEMBL23543364 0.90 XDH (0.41) XDHALOX5APFEN1PDPK1ABCG2
SCHEMBL20834399 0.90 AR (0.39) PDPK1SCN9AARABCG2USP1
SCHEMBL23543448 0.90 AR (0.40) PDPK1ARABCG2USP1WDR48
SCHEMBL23679130 0.90 MAT2A (0.34) PDPK1ABCG2USP1WDR48ALDH1A1
SCHEMBL23679134 0.89 USP1 (0.33) PDPK1SCN9AABCG2USP1WDR48

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-3673031-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-07-28 EP disclosed