SCHEMBL13634391

SCHEMBL13634391

Cc1csc(N(C)CCCO)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC12A5 Q9H2X9 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 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
SCHEMBL3506347 0.89 MAPK1 (0.42) NOS1SMN1; SMN2MAPK1SLC12A5CYP2D6
SCHEMBL13634342 0.80 NOS1 (0.38) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL18674646 0.78 ALDH1A1 (0.39) NOS1SMN1; SMN2MAPK1SLC12A5CYP2D6
SCHEMBL13425206 0.77 KDM4E (0.40) SMN1; SMN2SLC12A5CYP2D6KDM4ELMNA
SCHEMBL18674691 0.76 ALDH1A1 (0.35) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL3556009 0.76 NOS1 (0.34) NOS1SMN1; SMN2SLC12A5CYP2D6KDM4E
SCHEMBL232983 0.76 SMN1; SMN2 (0.40) NOS1SMN1; SMN2MAPK1SLC12A5CYP2D6
SCHEMBL13634367 0.75 PDE10A (0.35) SLC12A5CYP2D6LMNAALDH1A1GAA
SCHEMBL13638975 0.74 MAOA (0.39) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL18674644 0.74 SLC29A1 (0.42) NOS1SMN1; SMN2MAPK1KDM4ELMNA

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