SCHEMBL9507967

SCHEMBL9507967

CC(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GRIK1 P39086 1/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MPO P05164 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL1820228 0.83 MEN1 (0.64) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1663739 0.82 MAPT (0.56) MAPTSMN1; SMN2GRIK1ALDH1A1CYP3A4
SCHEMBL7196335 0.82 MAPT (0.51) MAPTSMN1; SMN2GRIK1AKR1C3AKR1C2
SCHEMBL10489728 0.82 SMN1; SMN2 (0.65) MAPTSMN1; SMN2GRIK1AKR1C3AKR1C2
SCHEMBL5156571 0.80 SMN1; SMN2 (0.67) MAPTSMN1; SMN2GRIK1AKR1C3AKR1C2
SCHEMBL9507931 0.80 GRIK1 (0.55) MAPTSMN1; SMN2GRIK1AKR1C3AKR1C2
SCHEMBL2069722 0.79 PKM (0.78) MAPTSMN1; SMN2HTTPKMALDH1A1
SCHEMBL1819723 0.79 POLB (0.46) MAPTSMN1; SMN2HTTPKMALDH1A1
SCHEMBL9509277 0.78 KDM4E (0.41) MAPTSMN1; SMN2HTTPKMALDH1A1
SCHEMBL9511668 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2PKMALDH1A1CYP3A4

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-0317645-B1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1993-09-15 EP disclosed
US-4980287-A ANTIINFLAMMATORY AGENTS; INHIBITOR OF DEGENERATION AND DESTRUCTION OF TISSUES TEIJIN LIMITED (JP) 1990-12-25 US disclosed
EP-0317645-A1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1989-05-31 EP disclosed