SCHEMBL11589728

SCHEMBL11589728

CCC1=C(N)C(=O)c2cc3ccccc3cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
POLB P06746 3/20 0.39
PTPRC P08575 3/20 0.39
MEN1 O00255 3/20 0.39

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
SCHEMBL21814476 0.85 FGFR1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9204069 0.80 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL543741 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1170208 0.71 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30130196 0.71 MEN1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29364188 0.71 MEN1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL354514 0.71 MEN1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30004167 0.69 FGFR1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5820931 0.69 FGFR1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL19230417 0.69 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-4153065-A Azo derivatives of pyridine n-oxide for use in hair dye compositions L'OREAL (FR) 1979-05-08 US disclosed