SCHEMBL8091948

SCHEMBL8091948

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.41
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34
AR P10275 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CES2 O00748 1/20 0.34
ABCB11 O95342 1/20 0.34
GLA P06280 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 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
SCHEMBL8171363 0.89 SERPINE1 (0.40) SERPINE1MAPTKMT2AMEN1PKM
SCHEMBL8083684 0.83 SERPINE1 (0.40) SERPINE1MAPTKMT2AMEN1PKM
SCHEMBL8090682 0.82 MAPT (0.42) SERPINE1MAPTKMT2AMEN1LMNA
SCHEMBL8346017 0.82 SERPINE1 (0.53) SERPINE1MAPTLMNAALDH1A1MAPK1
SCHEMBL8183715 0.81 CFTR (0.40) SERPINE1MAPTKMT2AMEN1LMNA
SCHEMBL8090611 0.81 SERPINE1 (0.55) SERPINE1MAPTKMT2AMEN1PKM
SCHEMBL8091935 0.81 SERPINE1 (0.47) SERPINE1MAPTKMT2AMEN1PKM
SCHEMBL8098482 0.80 MAPT (0.39) SERPINE1MAPTKMT2AMEN1LMNA
SCHEMBL8091947 0.80 SERPINE1 (0.41) SERPINE1MAPTKMT2AMEN1PKM
SCHEMBL8346192 0.79 KCNMA1 (0.43) MAPTKMT2AMEN1PKMLMNA

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