SCHEMBL8329948

SCHEMBL8329948

C=C1N(CCCCCCCCCCCCCCCCCC)c2ccc([N+](=O)[O-])cc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ESPL1 Q14674 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 4/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36

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
SCHEMBL13591499 1.00 MPI (0.41) MPITDP1CNR1ACHECNR2
SCHEMBL9750176 0.84 TDP1 (0.43) MPITDP1MEN1MAPTKMT2A
SCHEMBL13224440 0.80 KMT2A (0.49) CNR1MEN1MAPTKMT2ALMNA
SCHEMBL31318113 0.80 OPRM1 (0.42) TDP1MEN1MAPTKMT2A
SCHEMBL15066621 0.80 KMT2A (0.49) CNR1MEN1MAPTKMT2ALMNA
SCHEMBL10643897 0.78 SCN9A (0.43) ACHECNR2MEN1KMT2A
SCHEMBL8925479 0.78 SCN9A (0.34) CNR2MEN1MAPTKMT2AL3MBTL1
SCHEMBL19746778 0.78 SCN9A (0.43) ACHECNR2MEN1KMT2A
SCHEMBL4612174 0.77 TDP1 (0.59) MPITDP1MAPTESPL1L3MBTL1
SCHEMBL2489072 0.77 SCN9A (0.42) CNR1ACHECNR2MEN1MAPT

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-6004536-A USED FOR STAINING MEMBRANES IN CELLS OR ISOLATED FROM CELLS, ARE WELL-RETAINED THEREIN MOLECULAR PROBES, INC. (US) 1999-12-21 US disclosed