SCHEMBL8091931

SCHEMBL8091931

CCOP(=O)(CNc1cc(Oc2cccc(C(F)(F)F)c2)c(C(F)(F)F)cc1[N+](=O)[O-])OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGES O14684 2/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.36

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
SCHEMBL8083681 0.91 MAPT (0.41) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8083815 0.87 SERPINE1 (0.61) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8606858 0.86 MEN1 (0.39) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8098784 0.85 NPSR1 (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8092253 0.83 USP10 (0.48) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8091935 0.83 SERPINE1 (0.47) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8090679 0.80 MAPT (0.43) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10908470 0.78 MEN1 (0.55) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL8091881 0.78 MAPT (0.43) SERPINE1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8171359 0.77 SERPINE1 (0.39) SERPINE1SMN1; SMN2MAPTRAB9ALMNA

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