SCHEMBL4440253

SCHEMBL4440253

CC(C)(C(N)=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HSD17B10 Q99714 1/20 0.50
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
VCAM1 P19320 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GALR3 O60755 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RORC P51449 5/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2817983 0.88 KMT2A (0.56) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL13268497 0.82 PDK1 (0.52) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL7762843 0.82 TDP1 (0.44) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL3542314 0.80 HSD17B10 (0.60) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL1762377 0.78 HSD17B10 (0.56) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL27775720 0.78 HSD17B10 (0.56) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL4440258 0.77 HSD17B10 (0.51) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL2813658 0.77 HSD17B10 (0.51) KMT2AHSD17B10PDK1PDK2PDK3
SCHEMBL4447866 0.76 CYP3A4 (0.42) KMT2AHSD17B10MAPTMEN1NR1H4
SCHEMBL7945433 0.75 HSD17B10 (0.62) KMT2AHSD17B10PDK1PDK2PDK3

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