SCHEMBL8091881

SCHEMBL8091881

CCOP(=O)(CNc1cc(OCCOc2ccc(Cl)cc2)c(C(F)(F)F)cc1[N+](=O)[O-])OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALPG P10696 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SERPINE1 P05121 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL8083938 0.85 RHOC (0.35) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8091901 0.85 LMNA (0.40) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8098482 0.83 MAPT (0.39) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8606858 0.81 MEN1 (0.39) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8090679 0.81 MAPT (0.43) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8098464 0.81 ALDH1A1 (0.38) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8171359 0.81 SERPINE1 (0.39) MAPTLMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL8083681 0.81 MAPT (0.41) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8091931 0.78 SERPINE1 (0.47) MAPTLMNAKMT2ASMN1; SMN2NPC1
SCHEMBL8092253 0.77 USP10 (0.48) MAPTLMNAKMT2ASMN1; SMN2NPC1

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 1 patent. 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