SCHEMBL21375296

SCHEMBL21375296

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
PTGER4 P35408 1/20 0.35
CYP1A2 P05177 5/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 3/20 0.35
LMNA P02545 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
ABCG2 Q9UNQ0 6/20 0.34
ABCB1 P08183 2/20 0.34
MAPK1 P28482 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
TP53 P04637 2/20 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
SCHEMBL24125591 0.98 CYP1A2 (0.36) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL20655131 0.98 CYP1A2 (0.37) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL21364972 0.97 PTGER4 (0.36) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL20114590 0.97 PTGER4 (0.36) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL22586700 0.96 STS (0.34) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL21364925 0.96 CYP1A2 (0.39) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL22586271 0.96 STS (0.34) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL22647583 0.96 STS (0.35) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL21031703 0.96 STS (0.35) STSPTGER4CYP1A2MEN1ALDH1A1
SCHEMBL22647610 0.96 STS (0.35) STSPTGER4CYP1A2MEN1ALDH1A1

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-2019175160-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-09-19 WO disclosed