SCHEMBL11780907

SCHEMBL11780907

CN(C)c1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
KDM4E B2RXH2 4/20 0.72
MAPT P10636 3/20 0.72
MIF P14174 1/20 0.61
CA9 Q16790 1/20 0.61
GLA P06280 2/20 0.61
SLC16A3 O15427 2/20 0.57
GPR35 Q9HC97 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP19A1 P11511 1/20 0.46
PGR P06401 4/20 0.44
MAOB P27338 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOA P21397 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL6282516 0.84 MEN1 (1.00) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL30532621 0.84 MEN1 (1.00) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL9635601 0.80 MIF (0.67) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL13486923 0.79 SLC16A3 (0.58) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL15842472 0.79 MIF (0.71) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL11863201 0.78 CYP2A6 (0.53) MEN1KMT2AKDM4EMAPTGLA
SCHEMBL25842366 0.78 SLC16A3 (0.63) MEN1KMT2AKDM4EMAPTSLC16A3
SCHEMBL24715090 0.76 MIF (0.67) MEN1KMT2AKDM4EMAPTMIF
SCHEMBL17768955 0.76 SLC16A3 (0.61) MEN1KMT2AKDM4EMAPTGLA
SCHEMBL29943964 0.76 MIF (0.67) MEN1KMT2AKDM4EMAPTMIF

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-1273971-B1 Process for photopolymerization by exposure of a photosensitive lithographic printing plate FUJIFILM CORP (JP) 2010-02-10 EP disclosed
US-3985772-A 3-Amidinocoumarin dyes BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed