SCHEMBL9540942

SCHEMBL9540942

O=C(Oc1ccccc1)c1sc2ncc([N+](=O)[O-])cc2c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KAT2B Q92831 4/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
ALOX5 P09917 2/20 0.49
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NSD2 O96028 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL4131369 0.82 MAPT (0.60) MAPTNPC1RAB9AKAT2BEP300
SCHEMBL9541069 0.76 KDM4E (0.49) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL9540935 0.75 MAPT (0.50) MAPTNPC1RAB9AKAT2BEP300
SCHEMBL17674093 0.73 ALOX5 (0.59) MAPTNPC1RAB9AALOX5ALDH1A1
SCHEMBL9541204 0.72 NSD2 (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL9542671 0.71 NSD2 (0.37) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL17674189 0.71 ALDH1A1 (0.58) MAPTALOX5ALDH1A1KMT2AMEN1
SCHEMBL9542502 0.71 ALDH1A1 (0.38) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9541088 0.71 KMT2A (0.37) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL9542517 0.69 MAPT (0.51) MAPTNPC1RAB9AALDH1A1KMT2A

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed