SCHEMBL6603583

SCHEMBL6603583

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCEH1 Q6PIU2 1/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 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
SCHEMBL6604281 0.87 KDM4E (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6229441 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL6606505 0.86 MAPT (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6606670 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL6605993 0.82 LMNA (0.45) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL6603195 0.82 POLB (0.42) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL4676934 0.80 MEN1 (0.45) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL10699646 0.80 NCEH1 (0.44) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL6510652 0.80 NCEH1 (0.44) ALDH1A1KDM4EHPGDNPSR1NCEH1
SCHEMBL6603719 0.79 NCEH1 (0.40) ALDH1A1KDM4EHPGDNPSR1NCEH1

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