SCHEMBL2772178

SCHEMBL2772178

CCN(CCn1cc[n+](C)c1)c1ccc(N=Nc2nc(C)cs2)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
PSMD14 O00487 1/20 0.34
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
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
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
APAF1 O14727 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
SCHEMBL2772176 1.00 NPC1 (0.34) NPC1MAPTRAB9AKMT2APSMD14
Bromide SCHEMBL2772151 0.99 NPC1 (0.34) NPC1MAPTRAB9AKMT2APSMD14
Bromide SCHEMBL2772154 0.99 NPC1 (0.34) NPC1MAPTRAB9AKMT2APSMD14
Bromide SCHEMBL2772162 0.92 NPC1 (0.32) NPC1MAPTRAB9AKMT2APSMD14
SCHEMBL2771965 0.89 KDR (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2771964 0.89 KDR (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2770092 0.88 KDR (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
Bromide SCHEMBL2769441 0.88 KDR (0.33) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2769093 0.86 CYP19A1 (0.30)
SCHEMBL2769097 0.86 CYP19A1 (0.30)

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