SCHEMBL7360806

SCHEMBL7360806

COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PKM P14618 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GLA P06280 1/20 0.43

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
SCHEMBL1625685 0.86 MAPT (0.49) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL2129946 0.86 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL28113289 0.84 MAPT (0.50) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL10783255 0.84 HSD17B10 (0.50) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL18982074 0.83 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL11327505 0.82 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL22165300 0.81 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL11532393 0.79 MAPT (0.57) MAPTALDH1A1GAAHTTPOLB
SCHEMBL1744734 0.78 KDM4E (0.43) MAPTALDH1A1GAAPOLBGLA
SCHEMBL30001924 0.77 HSD17B10 (0.56) KMT2AALDH1A1TDP1HSD17B10RAB9A

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-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 — — WO disclosed
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