SCHEMBL10916104

SCHEMBL10916104

O=C(Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ AMY1A P0DUB6 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ SCN2A Q99250 1/20 0.50
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL10916891 0.83 AMY1A (0.48) KDM4ELMNAMEN1KMT2AAMY1A
SCHEMBL10916886 0.83 AMY1A (0.48) KDM4ELMNAMEN1KMT2AAMY1A
SCHEMBL10916847 0.82 CA12 (0.65) KDM4ELMNAMEN1KMT2ACA12
SCHEMBL28835623 0.80 GSK3B (0.64) KDM4ELMNAMEN1KMT2AAMY1A
SCHEMBL1150142 0.80 CASP3 (0.55) KDM4EMEN1KMT2ACA12CA9
SCHEMBL1832812 0.79 CA12 (0.60) LMNASCN2ACA12CA9CA1
SCHEMBL11791806 0.78 ALDH1A1 (0.55) KDM4ELMNAMEN1KMT2ACA12
SCHEMBL28532343 0.77 ALDH1A1 (0.60) KDM4ELMNAMEN1KMT2APTPN1
SCHEMBL14598270 0.77 ALDH1A1 (0.51) KDM4EMEN1KMT2ASCN2ACA12
SCHEMBL29531485 0.77 CA1 (0.62) KDM4ESCN2ACA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 — — EP disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 — — US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 — — EP disclosed
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