SCHEMBL6605643

SCHEMBL6605643

CCOC(=O)c1c(OC)c(C#N)c(OC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 7/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6606804 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604031 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604432 0.86 ALOX15 (0.43) SMN1; SMN2ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604264 0.85 ALOX15 (0.41) SMN1; SMN2ALDH1A1HTTNPSR1RXFP1
SCHEMBL5167234 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HTTKDM4EKMT2A
SCHEMBL4657378 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HTTNPSR1TDP1
SCHEMBL6264079 0.79 MEN1 (0.49) SMN1; SMN2ALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL3562795 0.77 CA12 (0.50) SMN1; SMN2ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL6603210 0.76 PDE10A (0.42) SMN1; SMN2ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL6603036 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1KDM4EKMT2A

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