SCHEMBL9507318

SCHEMBL9507318

Nc1ccc(C(=O)O)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSD17B10 Q99714 3/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL9743950 0.82 GRIK1 (0.56) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9181962 0.82 MAPT (0.38) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL8550609 0.81 GRIK1 (0.56) GAAMEN1KMT2AGRIK1TP53
SCHEMBL2088279 0.80 PDK1 (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3251775 0.79 PDK1 (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL973761 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL14075166 0.77 MAPT (0.57) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL3850312 0.77 CA1 (0.42) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL2069741 0.77 MEN1 (0.55) MAPTMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL432229 0.76 KCNK2 (0.55) ALDH1A1MAPTMEN1KMT2AHSD17B10

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