SCHEMBL8091947

SCHEMBL8091947

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.41
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 8/20 0.36
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 3/20 0.36
KCNMA1 Q12791 1/20 0.35
PKM P14618 2/20 0.34
POLB P06746 2/20 0.34
PTGER4 P35408 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
THRB P10828 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
SCHEMBL8171359 0.86 SERPINE1 (0.39) SERPINE1LMNAGAAMEN1KMT2A
SCHEMBL8090611 0.83 SERPINE1 (0.55) SERPINE1LMNAGAAMEN1KMT2A
SCHEMBL8083681 0.80 MAPT (0.41) SERPINE1LMNAMEN1KMT2AMAPT
SCHEMBL8091948 0.80 SERPINE1 (0.41) SERPINE1LMNAGAAMEN1KMT2A
SCHEMBL8091901 0.79 LMNA (0.40) SERPINE1LMNAGAAMEN1KMT2A
SCHEMBL8090679 0.79 MAPT (0.43) SERPINE1LMNAMEN1KMT2AL3MBTL1
SCHEMBL8606858 0.79 MEN1 (0.39) SERPINE1LMNAMEN1KMT2AL3MBTL1
SCHEMBL8123521 0.79 SERPINE1 (0.53) SERPINE1LMNAGAAMEN1KMT2A
SCHEMBL8183707 0.79 CFTR (0.43) SERPINE1L3MBTL1MAPTALDH1A1POLB
SCHEMBL8091931 0.77 SERPINE1 (0.47) SERPINE1LMNAGAAMEN1KMT2A

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