SCHEMBL6606632

SCHEMBL6606632

N#Cc1cc2ccccc2c(C(=O)O)c1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
SLC2A1 P11166 2/20 0.37
MAPT P10636 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6606670 0.87 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6604281 0.84 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4656053 0.79 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6608823 0.76 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27541400 0.76 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6606505 0.72 MAPT (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4346700 0.72 SLC2A1 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6517134 0.72 KMT2A (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6603583 0.72 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4657181 0.71 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1HPGD

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