SCHEMBL20208941

SCHEMBL20208941

N#Cc1ccc2c(c1)Oc1cc3c(c4c1N2c1ccc(C#N)cc1O4)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 4/20 0.35
CYP2D6 P10635 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ABCG2 Q9UNQ0 8/20 0.33
ABCB1 P08183 3/20 0.32
MAPK1 P28482 2/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 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
SCHEMBL20208934 0.92 MEN1 (0.33) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL20208630 0.86 P2RX4 (0.30)
SCHEMBL22145841 0.84 PTGER4 (0.34) CYP1A2CYP3A4MEN1KMT2ALMNA
SCHEMBL20208937 0.84 MAPT (0.32) MEN1KMT2AHSD17B10MAPT
SCHEMBL20208949 0.82 TSHR (0.32) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL20208650 0.78
SCHEMBL20208970 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL20208945 0.78
SCHEMBL20208933 0.77 KDM4E (0.30) KDM4E
SCHEMBL20208636 0.77 ALDH1A1 (0.38) MEN1KMT2ALMNAALDH1A1HSD17B10

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
EP-3544986-B1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
WO-2018095839-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-31 WO disclosed