SCHEMBL8542275

SCHEMBL8542275

CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ VCAM1 P19320 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL16305334 0.78 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL22116211 0.78 ALDH1A1 (0.76) ALDH1A1KMT2AVCAM1SMN1; SMN2MAPT
SCHEMBL11744950 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EVCAM1
SCHEMBL11744939 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EVCAM1
SCHEMBL8542441 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EVCAM1
SCHEMBL13717956 0.76 VCAM1 (0.55) ALDH1A1MEN1KMT2ATSHRVCAM1
SCHEMBL8540726 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL12087097 0.75 VCAM1 (0.51) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL8414119 0.74 GRIA2 (0.54) TSHRVCAM1MAPTCYP3A4ALOX15
SCHEMBL124590 0.74 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 — — EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 — — US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 — — EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 — — WO disclosed
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