SCHEMBL6605980

SCHEMBL6605980

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SLC22A12 Q96S37 2/20 0.40
XDH P47989 1/20 0.40
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL6605872 0.87 MEN1 (0.39) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL6603719 0.84 NCEH1 (0.40) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL6602894 0.83 MEN1 (0.49) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL6602899 0.83 MEN1 (0.49) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL16146645 0.79 MEN1 (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL27541400 0.79 KDM4E (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL6545857 0.79 MEN1 (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL6517134 0.78 KMT2A (0.56) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL4657181 0.77 ALDH1A1 (0.51) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL4656053 0.74 KDM4E (0.51) MEN1KMT2ACYP1A2KDM4EALDH1A1

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