SCHEMBL22121367

SCHEMBL22121367

CCCOC(=O)c1cc(OC)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 10/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ COMT P21964 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL25255894 0.90 KMT2A (0.50) ESR1KDM4EPOLBMAPK1ALDH1A1
SCHEMBL10609057 0.84 ESR1 (0.55) ESR1KDM4EPOLBALDH1A1KMT2A
SCHEMBL10609112 0.84 ESR1 (0.55) ESR1KDM4EPOLBMAPK1ALDH1A1
SCHEMBL1458078 0.84 VCAM1 (0.49) KDM4EPOLBMAPK1ALDH1A1KMT2A
SCHEMBL10607192 0.82 ESR1 (0.53) ESR1KDM4EPOLBALDH1A1KMT2A
SCHEMBL16841186 0.79 LMNA (0.50) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL4248118 0.79 TPMT (0.57) MAPK1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL19436450 0.79 MAPT (0.50) KDM4EPOLBMAPK1ALDH1A1KMT2A
SCHEMBL11341084 0.79 ESR1 (0.78) ESR1ALDH1A1COMTRAB9AMAPT
SCHEMBL2655338 0.78 KMT2A (0.57) ESR1KDM4EPOLBMAPK1ALDH1A1

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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