SCHEMBL16622169

SCHEMBL16622169

CN(C)CCNC(=O)CNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCC(=O)NCCN)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HIF1A Q16665 2/20 0.42
NPC1 O15118 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
CACNA1F O60840 1/20 0.42
SLC22A3 O75751 1/20 0.42
NSD2 O96028 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL13350272 0.94 NQO1 (0.50) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL13350306 0.90 CSNK2A2 (0.46) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL10013650 0.90 CSNK2A2 (0.46) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL10013634 0.90 CSNK2A2 (0.46) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL13350278 0.90 CSNK2A2 (0.46) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL10013644 0.84 CSNK2A2 (0.50) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL12938668 0.84 CYP19A1 (0.55) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL3418071 0.79 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL11522777 0.79 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2LMNAMAPK1
SCHEMBL11277491 0.79 CYP19A1 (0.62) NQO1CYP19A1SMN1; SMN2LMNAMAPK1

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-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed