SCHEMBL6607592

SCHEMBL6607592

CC=Cc1c(C#N)cc2ccccc2c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 6/20 0.39
KDM4E B2RXH2 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM5A P29375 1/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6603719 0.86 NCEH1 (0.40) NCEH1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL6602894 0.86 MEN1 (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6602899 0.86 MEN1 (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6604719 0.85 MEN1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6604721 0.85 MEN1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6510652 0.80 NCEH1 (0.44) NCEH1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL10699646 0.80 NCEH1 (0.44) NCEH1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL4676934 0.80 MEN1 (0.45) NCEH1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL6229441 0.79 ALDH1A1 (0.52) NCEH1ALDH1A1HPGDKDM4ENPSR1
SCHEMBL6603195 0.77 POLB (0.42) NCEH1ALDH1A1HPGDKDM4ENPSR1

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