SCHEMBL11243947

SCHEMBL11243947

CC(CON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SCN2A Q99250 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.41

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) HTTALDH1A1RAB9AMAPTMEN1
SCHEMBL659165 0.80 KMT2A (0.63) HTTALDH1A1RAB9APOLBMAPT
SCHEMBL10637787 0.79 HTR2A (0.44) ALDH1A1HTR2ARAB9AMAPTTDP1
SCHEMBL15152327 0.77 SMN1; SMN2 (0.48) ALDH1A1POLBSMN1; SMN2MAPTMEN1
SCHEMBL10545920 0.76 RAB9A (0.46) ALDH1A1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL29365592 0.75 ALDH1A1 (0.47) HTTALDH1A1HTR2ARAB9APOLB
SCHEMBL8247254 0.73 HTR2A (0.60) HTTALDH1A1HTR2ARAB9APOLB
SCHEMBL29171050 0.72 HTR2A (0.59) HTTALDH1A1HTR2ARAB9APOLB
SCHEMBL11098324 0.71 HTR2A (0.58) HTTALDH1A1HTR2ARAB9APOLB
SCHEMBL14598270 0.71 ALDH1A1 (0.51) HTTALDH1A1RAB9ASMN1; SMN2MAPT

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
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 — — EP disclosed
Send feedback