SCHEMBL9509375

SCHEMBL9509375

NCC(=O)c1ccc(C(=O)O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 5/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 1/20 0.46
PPM1B O75688 1/20 0.45
MAPT P10636 6/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
IDO1 P14902 1/20 0.43
CDC25B P30305 2/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42
KMT2A Q03164 4/20 0.41
GFER P55789 2/20 0.41

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
SCHEMBL27450524 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL29067063 0.84 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL179933 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL29482064 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL143267 0.82 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL30162845 0.82 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL29377257 0.82 KDM4E (0.55) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL23357752 0.80 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL3939033 0.80 TDP1 (0.55) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL31195371 0.80 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTDP1

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