SCHEMBL13638975

SCHEMBL13638975

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP4A11 Q02928 2/20 0.34
GAA P10253 3/20 0.33
TMPRSS15 P98073 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP4F2 P78329 1/20 0.33
PRSS1 P07477 1/20 0.33
POLB P06746 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13162295 0.86 MAOA (0.41) MAOAACHEMEN1KMT2AMAPT
SCHEMBL13638878 0.82 MAOA (0.38) MAOAACHEMEN1KMT2AMAPT
SCHEMBL15348901 0.81 MAOA (0.40) MAOAACHEMEN1KMT2AMAPT
SCHEMBL13162299 0.79 MAOA (0.40) MAOAACHEMEN1KMT2AMAPT
SCHEMBL13162285 0.79 MAOA (0.40) MAOAACHEMEN1KMT2AMAPT
SCHEMBL11011001 0.78 MAOA (0.39) MAOAACHEMEN1KMT2AMAPT
SCHEMBL15888636 0.75 L3MBTL1 (0.41) ACHEALDH1A1POLBKDM4E
SCHEMBL13634391 0.74 NOS1 (0.34) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL22335788 0.72 CYP4A11 (0.45) MAOAACHEMEN1KMT2AMAPT
SCHEMBL13162766 0.72 CSF1R (0.43) MAOAACHEKMT2ARAB9ANPC1

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