SCHEMBL2771964

SCHEMBL2771964

CCN(CCn1cc[n+](C)c1)c1ccc(/N=N/c2nc(C)cs2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.33
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
CYP19A1 P11511 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
SCHEMBL2771965 1.00 KDR (0.33) KDRMEN1NPC1LMNAPOLB
Bromide SCHEMBL2769441 0.99 KDR (0.33) KDRMEN1NPC1LMNAPOLB
Bromide SCHEMBL2770092 0.99 KDR (0.33) KDRMEN1NPC1LMNAPOLB
Bromide SCHEMBL2772162 0.96 NPC1 (0.32) KDRMEN1NPC1LMNAMAPT
SCHEMBL2769093 0.92 CYP19A1 (0.30) CYP19A1
SCHEMBL2769097 0.92 CYP19A1 (0.30) CYP19A1
Bromide SCHEMBL2770011 0.91
Bromide SCHEMBL2770012 0.91
SCHEMBL2772176 0.89 NPC1 (0.34) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL2772178 0.89 NPC1 (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 1 patent. 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