SCHEMBL5484229

SCHEMBL5484229

O=C(Nc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 7/20 0.53
IKBKB O14920 1/20 0.53
ALOX5 P09917 4/20 0.52
MAPT P10636 7/20 0.48
AGTR1 P30556 1/20 0.47
RECQL P46063 1/20 0.47
RRM1 P23921 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR27 Q9NS67 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL5484233 1.00 MEN1 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5489429 0.92 IKBKB (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5489426 0.92 IKBKB (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5487810 0.87 GPR27 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5489322 0.87 GPR27 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5487804 0.87 GPR27 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5489320 0.87 GPR27 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5483161 0.85 ALOX5 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5483164 0.85 ALOX5 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5480579 0.85 POLB (0.53) MEN1KMT2ARAB9AALDH1A1IKBKB

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-1845083-A2 New arylsulfonohydrazide inhibitors of enzymes MurC and MurD UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2007-10-17 EP disclosed