Nornitrogen Mustard

Nornitrogen Mustard

SCHEMBL8638765

COC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].ClCCNCCCl

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
CES2 O00748 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6960199 0.88 KDM4E (0.55) KDM4ESMN1; SMN2CES2MAPTALDH1A1
Nornitrogen Mustard SCHEMBL8637079 0.85 KMT2A (0.52) SMN1; SMN2CES2MAPTALDH1A1TDP1
SCHEMBL2770959 0.77 HPGD (0.46) KDM4ESMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL10426166 0.76 ALDH1A1 (0.48) SMN1; SMN2CES2MAPTALDH1A1TDP1
SCHEMBL1403472 0.76 ALDH1A1 (0.56) KDM4ESMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL30203403 0.76 ALDH1A1 (0.56) KDM4ESMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL9502855 0.76 CES2 (0.58) KDM4ESMN1; SMN2CES2MAPTALDH1A1
SCHEMBL11130755 0.76 CES2 (0.58) KDM4ESMN1; SMN2CES2MAPTALDH1A1
SCHEMBL8637553 0.75 CES2 (0.46) SMN1; SMN2CES2MAPTALDH1A1FLT1
SCHEMBL6750268 0.75 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2CES2MAPTALDH1A1

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