SCHEMBL9540935

SCHEMBL9540935

O=C(OC1CCCCC1)c1sc2ncc([N+](=O)[O-])cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
OPRK1 P41145 2/20 0.39
KAT2B Q92831 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.80 MAPT (0.60) MAPTNPC1RAB9APOLBOPRK1
SCHEMBL9541065 0.75 ALDH1A1 (0.46) MAPTALDH1A1HPGDHSD17B10POLB
SCHEMBL9540942 0.75 MAPT (0.54) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9541076 0.72 ALDH1A1 (0.47) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9542497 0.72 ALDH1A1 (0.47) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9541191 0.70 KMT2A (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9540994 0.70 ALDH1A1 (0.46) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9542510 0.70 ALDH1A1 (0.47) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL27403724 0.69 ALDH1A1 (0.44) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9540890 0.68 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1HPGD

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