SCHEMBL8090673

SCHEMBL8090673

O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1NCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.55
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 9/20 0.38
HTT P42858 5/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 4/20 0.37
LMNA P02545 4/20 0.37
GART P22102 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8090611 0.87 SERPINE1 (0.55) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL8123179 0.86 SERPINE1 (0.54) SERPINE1CA1MMP2CA14MAPT
SCHEMBL8091853 0.78 SERPINE1 (0.52) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL8200499 0.78 ALDH1A1 (0.55) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL8043013 0.77 MAPK1 (0.41) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL7354885 0.77 KMT2A (0.58) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL8091742 0.77 SERPINE1 (0.52) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL27498000 0.77 SERPINE1 (0.36) SERPINE1CA1MMP2CA14MAPT
SCHEMBL8091902 0.77 SERPINE1 (0.49) SERPINE1MAPTHTTALDH1A1MEN1
SCHEMBL8090680 0.77 SERPINE1 (0.47) SERPINE1MAPTHTTALDH1A1MEN1

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
US-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-0828746-A1 NOVEL QUINOXALINE DIONE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
WO-1996037500-A1 NOVEL QUINOXALINE DIONE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed