SCHEMBL27775720

SCHEMBL27775720

[CH2]C(C)(C)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
VCAM1 P19320 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
GALR3 O60755 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
NHERF1 O14745 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 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
SCHEMBL27775732 0.88 HSD17B10 (0.58) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL3542314 0.86 HSD17B10 (0.60) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL1762377 0.83 HSD17B10 (0.56) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL2816057 0.82 VCAM1 (0.55) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL7945433 0.80 HSD17B10 (0.62) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL2813658 0.79 HSD17B10 (0.51) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL4440258 0.79 HSD17B10 (0.51) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL1148427 0.79 HSD17B10 (0.60) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL29563911 0.79 HSD17B10 (0.60) HSD17B10VCAM1PDK1PDK2PDK3
SCHEMBL4440253 0.78 KMT2A (0.53) HSD17B10VCAM1PDK1PDK2PDK3

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
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed