SCHEMBL8098482

SCHEMBL8098482

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
LMNA P02545 5/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.36
NPC1 O15118 3/20 0.36
SERPINE1 P05121 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
HTR6 P50406 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
ALPG P10696 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 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
SCHEMBL8083940 0.87 RHOC (0.36) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL8090682 0.83 MAPT (0.42) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL8091881 0.83 MAPT (0.43) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL8171363 0.83 SERPINE1 (0.40) MAPTLMNAKMT2AMEN1SERPINE1
SCHEMBL8083684 0.82 SERPINE1 (0.40) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL8091948 0.80 SERPINE1 (0.41) MAPTLMNAKMT2AMEN1SERPINE1
SCHEMBL8091935 0.80 SERPINE1 (0.47) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL8092259 0.79 USP10 (0.44) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL7913903 0.78 POLB (0.49) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL8083705 0.76 SERPINE1 (0.49) MAPTLMNAKMT2AMEN1SERPINE1

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