SCHEMBL20208934

SCHEMBL20208934

N#Cc1cc(C#N)cc(-c2ccc3c(c2)Oc2cc4c(c5c2N3c2ccc(-c3cc(C#N)cc(C#N)c3)cc2O5)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PGR P06401 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL20208941 0.92 CYP1A2 (0.35) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20208937 0.87 MAPT (0.32) MEN1KMT2AHSD17B10
SCHEMBL20208630 0.84 P2RX4 (0.30)
SCHEMBL20208949 0.83 TSHR (0.32) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL22145841 0.83 PTGER4 (0.34) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20208636 0.80 ALDH1A1 (0.38) MEN1ALDH1A1LMNAKMT2AHSD17B10
SCHEMBL20208650 0.80
SCHEMBL22145787 0.79
SCHEMBL22145876 0.79 TSPO (0.32)
SCHEMBL20208945 0.77

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