SCHEMBL6605872

SCHEMBL6605872

C=Cc1c(C#N)cc2ccccc2c1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 1/20 0.34
SLC22A12 Q96S37 4/20 0.34
XDH P47989 1/20 0.34
KDM2B Q8NHM5 2/20 0.33
KDM5A P29375 1/20 0.32
GAA P10253 1/20 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
SCHEMBL6605980 0.87 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6608059 0.86 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6604719 0.84 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6604721 0.84 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6603719 0.83 NCEH1 (0.40) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6608246 0.78 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL4031840 0.78 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL4656172 0.75 HPGD (0.43) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6608065 0.75 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6602935 0.75 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed