SCHEMBL6607597

SCHEMBL6607597

CC=Cc1c(C#N)c(C)c2ccccc2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
PDE10A Q9Y233 2/20 0.37
KDM4E B2RXH2 7/20 0.36
TSHR P16473 3/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
GRIA4 P48058 2/20 0.34
GRIA2 P42262 1/20 0.34
HSD17B10 Q99714 4/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 2/20 0.34
DHODH Q02127 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL6603724 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6604100 0.81 PDE10A (0.47) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6605190 0.78 KDM4E (0.47) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6602795 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6603196 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6602894 0.74 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6602899 0.74 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6604603 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL6608036 0.71 ALDH1A1 (0.43) ALDH1A1MAPK1STAT3PDE10AKDM4E
SCHEMBL655431 0.71 PDE10A (0.57) ALDH1A1PDE10AKDM4ETSHRMEN1

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