SCHEMBL8357908

SCHEMBL8357908

O=CC1C=C([N+](=O)[O-])C=CC1(Cl)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
VCAM1 P19320 1/20 0.38
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
AMY1A P0DUB6 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL307134 0.62 ERN1 (0.65) HSD17B10VCAM1KMT2AALDH1A1MAPT
SCHEMBL4722890 0.61 HSD17B10 (0.53) HSD17B10VCAM1KMT2AALDH1A1MEN1
SCHEMBL6980831 0.61
SCHEMBL29360183 0.61 HSD17B10 (1.00) HSD17B10VCAM1KMT2AALDH1A1MAPT
SCHEMBL85918 0.61 HSD17B10 (1.00) HSD17B10VCAM1KMT2AALDH1A1MAPT
Formic Acid SCHEMBL28068476 0.60 HSD17B10 (0.81) HSD17B10VCAM1KMT2AALDH1A1MAPT
SCHEMBL10286414 0.60 HSD17B10 (0.67) HSD17B10VCAM1KMT2AALDH1A1MAPT
SCHEMBL5779364 0.59 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1MAPT
Dinitrochlorobenzene SCHEMBL28224203 0.58 VCAM1 (0.59) HSD17B10VCAM1KMT2AALDH1A1MAPT
SCHEMBL4870825 0.58 HSD17B10 (0.69) HSD17B10VCAM1KMT2AALDH1A1MAPT

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
US-5914351-A Anti-viral aromatic hydrazones UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-06-22 US disclosed