SCHEMBL4437809

SCHEMBL4437809

CC(Cc1ccc([N+](=O)[O-])cc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
KCNJ1 P48048 2/20 0.46
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8205900 0.84 POLB (0.67) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL7008328 0.84 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL11024329 0.81 ESR1 (0.69) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL5264588 0.81 POLB (0.50) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL5261202 0.80 KCNJ1 (0.45) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL151540 0.79 ESR1 (0.52) ALDH1A1KCNH2LOXL2ESR1ESR2
Iodide SCHEMBL5262196 0.79 KCNJ1 (0.44) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL2350956 0.78 ALDH1A1 (0.54) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL19734040 0.76 ESR1 (0.55) KMT2AMEN1NPC1RAB9AKCNH2
SCHEMBL20431221 0.76 LOXL2 (0.52) POLBALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed