SCHEMBL6603036

SCHEMBL6603036

CCc1c(C#N)c(OC)c2ccccc2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 3/20 0.40
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.38
GRIA2 P42262 5/20 0.38
GRIA4 P48058 5/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL6607689 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6604031 0.86 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDMAPK1GAA
SCHEMBL6604038 0.85 PPARA (0.36) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL5167234 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6603196 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6603210 0.82 PDE10A (0.42) ALDH1A1KDM4EHPGDMAPK1STAT3
SCHEMBL6602795 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL6605643 0.76 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDPOLBGAA
SCHEMBL29138976 0.75 KDM4E (0.47) ALDH1A1KDM4EHPGDPOLBTDP1
SCHEMBL30631722 0.75 KDM4E (0.47) ALDH1A1KDM4EHPGDPOLBTDP1

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 8 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-1119355-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-01-08 EP disclosed
US-6500818-B1 Naphthalenecarboxamides as tachykinin receptor antagonists ASTRAZENECA AB (SE) 2002-12-31 US disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1119355-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020003-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed