SCHEMBL8633723

SCHEMBL8633723

O=C(NN(CCCl)CCCl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8637404 0.76 FLT1 (0.51) SMN1; SMN2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL27182311 0.75 PKM (0.64) ALOX5PKMMEN1KMT2AALDH1A1
SCHEMBL10802488 0.73 CYP3A4 (0.62) ALOX5PKMSMN1; SMN2CYP3A4MEN1
SCHEMBL10483661 0.73 CYP3A4 (0.57) ALOX5PKMSMN1; SMN2CYP3A4MEN1
Dimethylamine SCHEMBL8636090 0.72 MAPT (0.40) ALOX5SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL10717783 0.71 PKM (0.59) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL267054 0.70 ALOX5 (0.61) ALOX5PKMSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL10716338 0.70 PKM (0.57) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL13600434 0.70 ALOX5 (0.57) ALOX5SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL31148954 0.70 SMN1; SMN2 (0.57) ALOX5PKMSMN1; SMN2CYP3A4MEN1

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-5750782-A ANTICARCINOGENIC AGENTS, ANTIHYPOXIC AGENTS, PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-05-12 US disclosed