SCHEMBL9508005

SCHEMBL9508005

COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 4/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 1/20 0.47
PYGL P06737 1/20 0.46
PKM P14618 1/20 0.44
HTT P42858 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
SCHEMBL9507931 0.87 GRIK1 (0.55) SMN1; SMN2MAPTALDH1A1LMNAMEN1
SCHEMBL3606284 0.82 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL4014462 0.81 ALDH1A1 (0.64) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL27203069 0.80 KDM4E (0.74) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL10363345 0.80 KDM4E (0.54) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL10364417 0.80 KDM4E (0.54) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL9510448 0.79 GAA (0.53) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL10364503 0.79 MAPT (0.57) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL7861107 0.79 CXCR1 (0.63) SMN1; SMN2MAPTHPGDLMNAMEN1
SCHEMBL9508401 0.79 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1LMNAMEN1

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 6 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-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP 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
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed