SCHEMBL13714980

SCHEMBL13714980

CC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 2/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 3/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13714983 0.91 NPC1 (0.35) ALDH1A1NPC1RAB9AMAOBMAOA
SCHEMBL13715027 0.90 ALDH1A1 (0.34) ALDH1A1POLBMAOBMAOASMN1; SMN2
SCHEMBL10135977 0.89 GAA (0.44) ALDH1A1NPC1RAB9APOLBMAOB
SCHEMBL13958328 0.89 NPC1 (0.36) ALDH1A1NPC1RAB9APOLBMAOB
SCHEMBL13958215 0.86 NPC1 (0.34) ALDH1A1NPC1RAB9APOLBMAOB
SCHEMBL16425822 0.84 NPC1 (0.42) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5834826 0.84 FFAR4 (0.34) ALDH1A1NPC1RAB9APOLBMAOB
SCHEMBL5834041 0.84 KDM4E (0.38) ALDH1A1NPC1RAB9AMAOBMAOA
SCHEMBL7778894 0.84 MAOB (0.33) ALDH1A1NPC1RAB9APOLBMAOB
SCHEMBL5833949 0.84 NPC1 (0.34) NPC1RAB9AMAOBMAOASMN1; SMN2

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-7572843-B2 ink jets; colorfastness CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-08-11 US disclosed