SCHEMBL6604853

SCHEMBL6604853

CCOc1c(C#N)cc2ccccc2c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
MYB P10242 3/20 0.39
GLA P06280 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIP4K2A P48426 1/20 0.36
AR P10275 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL6230763 0.84 CLK1 (0.45) CLK1DYRK1ANCOA3GAACA1
SCHEMBL28150038 0.78 GAA (0.46) MYBGLAGAAL3MBTL1AR
SCHEMBL6604281 0.78 KDM4E (0.47) CLK1DYRK1AGLAMAPTMEN1
SCHEMBL6606505 0.77 MAPT (0.38) CLK1DYRK1AGLARXFP1GAA
SCHEMBL6603583 0.76 ALDH1A1 (0.42) CLK1DYRK1ARXFP1GAAL3MBTL1
SCHEMBL3961346 0.73 DYRK1A (0.45) CLK1DYRK1ANCOA3GAACA1
SCHEMBL29694174 0.71 GPR84 (0.44) L3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL644629 0.71 GPR84 (0.44) L3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL8566192 0.71 AR (0.43) GLARXFP1PIP4K2AARMAPT
SCHEMBL4874905 0.71 CLK1 (0.41) CLK1DYRK1ANCOA3L3MBTL1CA1

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