SCHEMBL6604435

SCHEMBL6604435

C=Cc1c(C#N)c(OC)c2c(CC)cccc2c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 7/20 0.36
GRIA2 P42262 6/20 0.36
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
METAP2 P50579 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6605648 0.87 PPARA (0.38) GRIA4GRIA2PPARACA12CA1
SCHEMBL6606806 0.85 PPARA (0.36) GRIA4GRIA2PPARACA12CA1
SCHEMBL6604038 0.85 PPARA (0.36) GRIA4GRIA2PPARACA12CA1
SCHEMBL6604272 0.80 METAP2 (0.34) GRIA4GRIA2PPARAMETAP2
SCHEMBL6264080 0.73 PPARA (0.40) PPARACA12CA1CA2CA7
SCHEMBL6604432 0.72 ALOX15 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6603724 0.71 ALDH1A1 (0.39) GRIA4GRIA2ALDH1A1GAAHPGD
SCHEMBL6603036 0.69 ALDH1A1 (0.40) GRIA4GRIA2CA12CA1CA2
SCHEMBL3701251 0.68 KDM4E (0.44) PPARAPOLBALDH1A1HPGDMEN1
SCHEMBL5167234 0.67 ALDH1A1 (0.42) CA12CA1CA2CA7CA9

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