SCHEMBL1496783

SCHEMBL1496783

O=C(Cc1cccs1)Nc1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
POLB P06746 9/20 0.54
ALDH1A1 P00352 6/20 0.54
BLM P54132 3/20 0.49
CTDSP1 Q9GZU7 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR2 Q92731 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 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
SCHEMBL1496461 0.84 MEN1 (0.47) MEN1KMT2APOLBALDH1A1BLM
SCHEMBL3928131 0.81 MAPT (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3928138 0.81 MAPT (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1496616 0.81 MEN1 (0.58) MEN1KMT2APOLBALDH1A1BLM
SCHEMBL3966385 0.80 HTT (0.60) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL13876933 0.78 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3971120 0.77 MAPT (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4969259 0.77 ALDH1A1 (0.53) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL1496685 0.76 MEN1 (0.67) MEN1KMT2APOLBALDH1A1BLM
SCHEMBL15618365 0.74 DNMT1 (0.63) MEN1KMT2APOLBALDH1A1BLM

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
WO-2011023722-A1 NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-03 WO disclosed