SCHEMBL13638878

SCHEMBL13638878

COC(=O)c1csc(N(C)CCCOc2ncccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
TMPRSS15 P98073 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 2/20 0.32
PPP1CA P62136 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR7 Q9NYK1 4/20 0.32
GRM5 P41594 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
APP P05067 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
SCHEMBL13638975 0.82 MAOA (0.39) MAOAACHEALDH1A1TP53GAA
SCHEMBL13162295 0.79 MAOA (0.41) MAOAACHEALDH1A1GAARAB9A
SCHEMBL13634367 0.78 PDE10A (0.35) ALDH1A1TP53GAARAB9A
SCHEMBL31482222 0.76 MAOA (0.43) MAOAACHEALDH1A1RAB9AMEN1
SCHEMBL15348901 0.75 MAOA (0.40) MAOAACHEALDH1A1GAARAB9A
SCHEMBL13162285 0.73 MAOA (0.40) MAOAACHEALDH1A1GAARAB9A
SCHEMBL13162299 0.73 MAOA (0.40) MAOAACHEALDH1A1GAARAB9A
SCHEMBL31482190 0.72 MAOA (0.39) MAOAACHEALDH1A1RAB9AMEN1
SCHEMBL11011001 0.72 MAOA (0.39) MAOAACHEALDH1A1GAARAB9A
SCHEMBL13634421 0.71 PPARG (0.41) GAAMEN1KMT2AKDM4E

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed