SCHEMBL6603224

SCHEMBL6603224

Cc1c(C#N)c(OS(=O)(=O)C(F)(F)F)c(C(=O)O)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
EPAS1 Q99814 1/20 0.34
PDE10A Q9Y233 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ABCC9 O60706 3/20 0.32
ABCC8 Q09428 3/20 0.32
KCNJ11 Q14654 3/20 0.32
KCNJ8 Q15842 3/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6602795 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL7589144 0.77 ALDH1A1 (0.38) ALPLALDH1A1MAPK1STAT3EPAS1
SCHEMBL6604264 0.77 ALOX15 (0.41) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL6604272 0.76 METAP2 (0.34) EPAS1
SCHEMBL6604100 0.75 PDE10A (0.47) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6605190 0.73 KDM4E (0.47) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6603210 0.72 PDE10A (0.42) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6603724 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL7582375 0.71 GAA (0.34) ALDH1A1KDM4EHPGDMAPTHSD11B1
SCHEMBL6607597 0.70 ALDH1A1 (0.38) ALDH1A1MAPK1STAT3PDE10AKDM4E

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