SCHEMBL9508019

SCHEMBL9508019

C=CCNC(=O)NC1(N)C=C([N+](=O)[O-])C=CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.36
MAPT P10636 6/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR3 P49019 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30

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
SCHEMBL7921835 0.69
SCHEMBL4431394 0.64
SCHEMBL9128877 0.64 CASP6 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL7913124 0.63 CES2 (0.35) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL7919728 0.62 ALOX5 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL10426165 0.60
SCHEMBL16005111 0.60
SCHEMBL9695089 0.59
SCHEMBL16005069 0.58 BCL9 (0.36)
SCHEMBL9567011 0.58 MEN1 (0.67) MAPTALDH1A1MEN1HTTKMT2A

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