SCHEMBL2771669

SCHEMBL2771669

CCN(CCn1cc[n+](C)c1)c1ccc(N=Nc2ncc(C)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PSMD14 O00487 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.31

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
SCHEMBL2771667 1.00 NPC1 (0.34) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2768749 0.99 NPC1 (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2768752 0.99 NPC1 (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2771256 0.88 KDR (0.42) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2771261 0.88 KDR (0.42) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2768583 0.87 KDR (0.42) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2768586 0.87 KDR (0.42) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2770236 0.85 KDR (0.47) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2770238 0.85 KDR (0.47) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2770237 0.85 KDR (0.35) KDR

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