SCHEMBL9508401

SCHEMBL9508401

COC(=O)c1c(C)cc([N+](=O)[O-])cc1NC(=O)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 8/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.41
MYOC Q99972 1/20 0.40
DDX3X O00571 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TBXA2R P21731 1/20 0.39

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
SCHEMBL10362498 0.89 SMN1; SMN2 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9510528 0.87 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10362972 0.81 MAPK1 (0.42) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL10364361 0.80 TSHR (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27484194 0.79 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9509361 0.79 MAPK1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10364446 0.79 SMN1; SMN2 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9508005 0.79 SMN1; SMN2 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4014462 0.78 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10362546 0.77 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ALMNA

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-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
EP-0466944-A1 4H-3,1-BENZOXAZIN-4-ONE COMPOUND AND ELASTASE INHIBITOR COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-01-22 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