SCHEMBL2771182

SCHEMBL2771182

CCN(CCn1cc[n+](C)c1)c1ccc(N=Nc2nc(C)c(C)s2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2771178 1.00 KDR (0.35) KDRMEN1NPC1LMNAPOLB
Bromide SCHEMBL2770530 0.99 KDR (0.35) KDRMEN1NPC1LMNAPOLB
Bromide SCHEMBL2769914 0.99 KDR (0.35) KDRMEN1NPC1LMNAPOLB
SCHEMBL2769721 0.92
SCHEMBL2769718 0.92
Bromide SCHEMBL2770220 0.91
Bromide SCHEMBL2770221 0.91
SCHEMBL2772742 0.88 INSR (0.35) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL2772739 0.88 INSR (0.35) MEN1NPC1LMNAMAPTMAPK1
Bromide SCHEMBL2769925 0.87 INSR (0.34) MEN1NPC1LMNAMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP claimed
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP disclosed
EP-1825883-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-29 EP disclosed