SCHEMBL17416809

SCHEMBL17416809

CC(C(=O)O)c1c[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
MEN1 O00255 2/20 0.37
PTGS1 P23219 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCC4 O15439 1/20 0.37
C5 P01031 1/20 0.37
MAPT P10636 1/20 0.37
PDE4D Q08499 1/20 0.37
CXCL8 P10145 1/20 0.36
NR4A2 P43354 1/20 0.35
AR P10275 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 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
SCHEMBL4131676 0.74 LMNA (0.47) MEN1KMT2AMAPTARALDH1A1
SCHEMBL8580035 0.71 FFAR1 (0.45) PTGS2MEN1PTGS1KMT2AMAPT
SCHEMBL3639561 0.71 FFAR1 (0.45) PTGS2MEN1PTGS1KMT2AMAPT
SCHEMBL7234600 0.71 F7 (0.58) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL3558857 0.71 CYP2A6 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL15741304 0.70 MTNR1A (0.45) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL1253014 0.69 KDM4E (0.54) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL24813005 0.68 SPR (0.53) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL30708185 0.68 SPR (0.53) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL11458159 0.67 ALDH1A1 (0.56) PTGS2MEN1KMT2AMAPTAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed