SCHEMBL6606505

SCHEMBL6606505

CCOc1c(C#N)cc2ccccc2c1C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP1 P29466 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6604281 0.88 KDM4E (0.47) MAPTCLK1DYRK1AKDM4EALDH1A1
SCHEMBL6603583 0.86 ALDH1A1 (0.42) MAPTCLK1DYRK1AKDM4EALDH1A1
SCHEMBL4656172 0.85 HPGD (0.43) CLK1DYRK1AKDM4EALDH1A1HPGD
SCHEMBL4031840 0.80 KDM4E (0.39) MAPTCLK1DYRK1AKDM4EALDH1A1
SCHEMBL6608246 0.78 KDM4E (0.42) CLK1DYRK1AKDM4EALDH1A1HPGD
SCHEMBL6604853 0.77 CLK1 (0.41) MAPTCLK1DYRK1AKDM4EALDH1A1
SCHEMBL6605872 0.75 MEN1 (0.39) MAPTCLK1DYRK1AKDM4EALDH1A1
SCHEMBL6602935 0.75 ALDH1A1 (0.39) CLK1DYRK1AKDM4EALDH1A1HPGD
SCHEMBL6608065 0.75 KDM4E (0.39) CLK1DYRK1AKDM4EALDH1A1HPGD
SCHEMBL4656053 0.73 KDM4E (0.51) MAPTCLK1DYRK1AKDM4EALDH1A1

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