SCHEMBL4440258

SCHEMBL4440258

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
VCAM1 P19320 1/20 0.44
KMT2A Q03164 5/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL2813658 1.00 HSD17B10 (0.51) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL2817984 0.88 HSD17B10 (0.51) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL2816593 0.88 HSD17B10 (0.51) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL3542314 0.82 HSD17B10 (0.60) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL27775720 0.79 HSD17B10 (0.56) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL1762377 0.79 HSD17B10 (0.56) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL2815063 0.78 ALDH1A1 (0.45) KMT2AALDH1A1CYP3A4TDP1LMNA
SCHEMBL2816057 0.78 VCAM1 (0.55) HSD17B10VCAM1KMT2APDK1PDK2
SCHEMBL8545549 0.78 KMT2A (0.54) KMT2AALDH1A1CYP3A4TDP1MEN1
SCHEMBL4440253 0.77 KMT2A (0.53) HSD17B10VCAM1KMT2APDK1PDK2

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