SCHEMBL14162001

SCHEMBL14162001

S=C(Nc1ccccc1)Nc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
CYP3A4 P08684 2/20 0.63
CYP1A2 P05177 1/20 0.63
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60

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
SCHEMBL12747952 0.79 ALDH1A1 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16566586 0.78 ALDH1A1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23959777 0.78 CYP1A2 (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4512999 0.78 CYP1A2 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4512996 0.78 CYP1A2 (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL341142 0.77 SLC40A1 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8956204 0.76 KMT2A (0.77) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL1695444 0.76 KDR (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31206215 0.76 KMT2A (0.77) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL29851236 0.76 KDR (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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
WO-2008074068-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS ANTIAMYLOIDOGENEIC AGENTS PRANA BIOTECHNOLOGY LIMITED (AU) 2008-06-26 WO disclosed