SCHEMBL6604281

SCHEMBL6604281

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
FDPS P14324 1/20 0.39
XDH P47989 2/20 0.38
MAPT P10636 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6606505 0.88 MAPT (0.38) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6603583 0.87 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4656053 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6606632 0.84 MEN1 (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6608823 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8810679 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5683173 0.80 FDPS (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4657181 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6604853 0.78 CLK1 (0.41) KDM4EALDH1A1MEN1GLAKMT2A
SCHEMBL6517134 0.77 KMT2A (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1

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