SCHEMBL16601869

SCHEMBL16601869

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
MAPT P10636 4/20 0.37
POLB P06746 3/20 0.37
PKM P14618 2/20 0.37
CISD1 Q9NZ45 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NR4A2 P43354 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
APAF1 O14727 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NQO1 P15559 1/20 0.34
MAPK1 P28482 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 3/20 0.33

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
SCHEMBL16601545 0.94 CYP19A1 (0.44) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL16601873 0.92 CYP19A1 (0.46) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL16602199 0.90 CYP19A1 (0.47) CYP19A1MAPTPOLBPKMCISD1
SCHEMBL17510056 0.88 CYP19A1 (0.40) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL16601541 0.85 CYP19A1 (0.51) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL10732244 0.81 POLB (0.51) MAPTPOLBSMN1; SMN2RAB9AKDM4E
SCHEMBL16602198 0.81 CYP19A1 (0.56) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL4706929 0.76 CYP19A1 (0.54) CYP19A1MAPTPOLBPKMSMN1; SMN2
SCHEMBL10989465 0.73 NSD2 (0.52) MAPTPOLBCISD1SMN1; SMN2RAB9A
SCHEMBL9619539 0.72 CYP19A1 (0.47) CYP19A1MAPTPOLBPKMSMN1; SMN2

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