SCHEMBL16601873

SCHEMBL16601873

CCCCNc1ccc(NCCCC)c2c1C(=O)c1c(NCCC[N+](C)(C)C)ccc(NCCC[N+](C)(C)C)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
MAPT P10636 4/20 0.42
POLB P06746 4/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.39
APAF1 O14727 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
USP2 O75604 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
BLM P54132 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL16601541 0.93 CYP19A1 (0.51) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL16601869 0.92 CYP19A1 (0.40) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL16602198 0.88 CYP19A1 (0.56) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL16601545 0.84 CYP19A1 (0.44) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL4706929 0.83 CYP19A1 (0.54) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL9619539 0.79 CYP19A1 (0.47) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL17732422 0.79 CYP19A1 (0.73) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL16602199 0.79 CYP19A1 (0.47) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL17510056 0.79 CYP19A1 (0.40) CYP19A1MAPTPOLBPKMALDH1A1
SCHEMBL25937202 0.78 TERT (0.57) CYP19A1MAPTPOLBALDH1A1MAPK1

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-8993260-B2 Fluorescence-based viability staining method using a membrane permeable flourescent dye and membrane impermeable fluorescence quencher CHARLES RIVER LABORATORIES, INC. (US) 2015-03-31 US disclosed