SCHEMBL10637787

SCHEMBL10637787

CC(CC(=O)OCc1ccc([N+](=O)[O-])cc1)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SCN2A Q99250 1/20 0.40

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
SCHEMBL9481830 0.81 ALDH1A1 (0.49) RAB9AMAPTALDH1A1TDP1SCN2A
SCHEMBL11243947 0.79 HTT (0.45) HTR2ARAB9AMAPTALDH1A1TDP1
SCHEMBL10545920 0.78 RAB9A (0.46) RAB9AMAPTALDH1A1TDP1SCN2A
SCHEMBL659165 0.74 KMT2A (0.63) RAB9AMAPTALDH1A1L3MBTL1GAA
SCHEMBL6153637 0.73 RAB9A (0.52) HTR2ARAB9AMAPTALDH1A1L3MBTL1
SCHEMBL14598270 0.73 ALDH1A1 (0.51) RAB9AMAPTALDH1A1KDM4ETDP1
SCHEMBL6404075 0.71 PTPRC (0.41) MAPTALDH1A1KDM4E
SCHEMBL6141237 0.70 ALDH1A1 (0.56) HTR2ARAB9AMAPTALDH1A1L3MBTL1
SCHEMBL8247254 0.70 HTR2A (0.60) HTR2ARAB9AMAPTALDH1A1L3MBTL1
SCHEMBL6155113 0.70 HTR2A (0.49) HTR2ARAB9AMAPTALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 — — EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
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