SCHEMBL6604432

SCHEMBL6604432

C=Cc1c(C#N)c(OC)c2ccccc2c1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL6605643 0.86 SMN1; SMN2 (0.49) ALOX15ALDH1A1HTTNPSR1RXFP1
SCHEMBL6606804 0.84 ALDH1A1 (0.45) ALOX15ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604031 0.83 SMN1; SMN2 (0.46) ALOX15ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604264 0.78 ALOX15 (0.41) ALOX15ALDH1A1HTTNPSR1RXFP1
SCHEMBL6604435 0.72 GRIA4 (0.36) ALOX15ALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL3562795 0.72 CA12 (0.50) ALOX15ALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL6603210 0.71 PDE10A (0.42) ALDH1A1SMN1; SMN2GAATDP1L3MBTL1
SCHEMBL6264079 0.71 MEN1 (0.49) ALOX15ALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL6603036 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAATDP1KDM4E
SCHEMBL5167234 0.71 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2GAAKDM4E

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