SCHEMBL8090611

SCHEMBL8090611

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.55
KCNMA1 Q12791 1/20 0.39
LMNA P02545 4/20 0.37
MAPT P10636 8/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36
HTT P42858 3/20 0.35
GAA P10253 3/20 0.35
THRB P10828 1/20 0.35
P2RX1 P51575 1/20 0.34
GRM8 O00222 2/20 0.34
GRM6 O15303 2/20 0.34
GRM4 Q14833 2/20 0.34
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
SCHEMBL8090673 0.87 SERPINE1 (0.55) SERPINE1LMNAMAPTALDH1A1MEN1
SCHEMBL8123179 0.86 SERPINE1 (0.54) SERPINE1LMNAMAPTALDH1A1MEN1
SCHEMBL8091947 0.83 SERPINE1 (0.41) SERPINE1KCNMA1LMNAMAPTALDH1A1
SCHEMBL8091948 0.81 SERPINE1 (0.41) SERPINE1KCNMA1LMNAMAPTALDH1A1
SCHEMBL8091853 0.78 SERPINE1 (0.52) SERPINE1LMNAMAPTALDH1A1MEN1
SCHEMBL7354885 0.77 KMT2A (0.58) SERPINE1KCNMA1LMNAMAPTALDH1A1
SCHEMBL8091742 0.77 SERPINE1 (0.52) SERPINE1LMNAMAPTALDH1A1MEN1
SCHEMBL8083705 0.77 SERPINE1 (0.49) SERPINE1LMNAMAPTMEN1KMT2A
SCHEMBL8090680 0.77 SERPINE1 (0.47) SERPINE1LMNAMAPTALDH1A1MEN1
SCHEMBL8091902 0.77 SERPINE1 (0.49) SERPINE1LMNAMAPTALDH1A1MEN1

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