SCHEMBL8083684

SCHEMBL8083684

CCC(C)OP(=O)(O)CNc1cc(Oc2ccccc2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.40
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 4/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MLNR O43193 1/20 0.34
MMP1 P03956 1/20 0.34
MPO P05164 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
SCHEMBL8091935 0.92 SERPINE1 (0.47) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8090682 0.89 MAPT (0.42) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8092259 0.88 USP10 (0.44) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8098272 0.85 UBE2M (0.34) NPSR1POLBHPGD
SCHEMBL8091853 0.85 SERPINE1 (0.52) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8091948 0.83 SERPINE1 (0.41) SERPINE1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL8098482 0.82 MAPT (0.39) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8171363 0.82 SERPINE1 (0.40) SERPINE1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL8083681 0.82 MAPT (0.41) SERPINE1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8183715 0.79 CFTR (0.40) SERPINE1MAPTNPC1POLBLMNA

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