SCHEMBL9507931

SCHEMBL9507931

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.55
MAPT P10636 3/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MPO P05164 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46

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
SCHEMBL9508005 0.87 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1663739 0.86 MAPT (0.56) GRIK1MAPTALDH1A1CYP3A4ALOX15
SCHEMBL4014462 0.83 ALDH1A1 (0.64) MAPTALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL5156571 0.81 SMN1; SMN2 (0.67) GRIK1MAPTALDH1A1CYP3A4ALOX15
SCHEMBL7861107 0.81 CXCR1 (0.63) MAPTTDP1SMN1; SMN2CXCR1CXCR2
SCHEMBL9507967 0.80 MAPT (0.51) GRIK1MAPTALDH1A1CYP3A4ALOX15
SCHEMBL21750971 0.80 MAPK1 (0.62) MAPTALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL10542066 0.79 ALDH1A1 (0.55) GRIK1MAPTALDH1A1CYP3A4ALOX15
SCHEMBL7974577 0.79 ALDH1A1 (0.55) GRIK1MAPTALDH1A1CYP3A4ALOX15
SCHEMBL3694733 0.78 MAPT (0.77) GRIK1MAPTALDH1A1CYP3A4ALOX15

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