SCHEMBL10694617

SCHEMBL10694617

C[SiH2]OC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CYP1A2 P05177 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL2777973 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL10695200 0.79 HSD17B10 (0.49) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL254406 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL30800630 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL8728613 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL9679556 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL8728605 0.77 ALDH1A1 (0.51) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL4617975 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL4620397 0.75 TSHR (0.50) ALDH1A1CYP1A2TDP1HSD17B10TSHR
SCHEMBL12050502 0.75 ALDH1A1 (0.58) ALDH1A1CYP1A2TDP1HSD17B10TSHR

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-0282634-A1 Photocurable composition KABUSHIKI KAISHA TOSHIBA (JP) 1988-09-21 EP disclosed