SCHEMBL6608036

SCHEMBL6608036

Cc1c(C#N)c(CC(C)C)c(C(=O)O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PDE10A Q9Y233 3/20 0.36
DHODH Q02127 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FBP1 P09467 1/20 0.35
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6603196 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1STAT3KDM4ESMN1; SMN2
SCHEMBL6604603 0.80 ALDH1A1 (0.42) ALDH1A1MAPK1STAT3KDM4ESMN1; SMN2
SCHEMBL6604100 0.79 PDE10A (0.47) ALDH1A1MAPK1STAT3KDM4EHPGD
SCHEMBL6605190 0.77 KDM4E (0.47) ALDH1A1MAPK1STAT3KDM4EHPGD
SCHEMBL27745290 0.76 DHODH (0.42) ALDH1A1KDM4EHPGDPDE10ADHODH
SCHEMBL6604113 0.75 KDM4E (0.47) ALDH1A1MAPK1KDM4EHPGDDHODH
SCHEMBL1974562 0.74 DHODH (0.44) ALDH1A1KDM4EHPGDPDE10ADHODH
SCHEMBL6602795 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1STAT3KDM4ESMN1; SMN2
SCHEMBL6603724 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1STAT3KDM4ESMN1; SMN2
SCHEMBL6607597 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1STAT3KDM4EHPGD

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