SCHEMBL6608041

SCHEMBL6608041

COC(=O)c1c(CC(C)C)c(C#N)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
KDM5A P29375 2/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
AR P10275 2/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL6603195 0.86 POLB (0.42) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6604113 0.86 KDM4E (0.47) POLBALDH1A1HPGDKDM4EMAPK1
SCHEMBL6508770 0.85 POLB (0.41) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6604599 0.82 ALOX5 (0.42) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL10699646 0.79 NCEH1 (0.44) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL4676934 0.79 MEN1 (0.45) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6510652 0.79 NCEH1 (0.44) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6605993 0.79 LMNA (0.45) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6229441 0.78 ALDH1A1 (0.52) POLBNCEH1KDM5AALDH1A1HPGD
SCHEMBL6603583 0.77 ALDH1A1 (0.42) POLBNCEH1KDM5AALDH1A1HPGD

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