SCHEMBL13634190

SCHEMBL13634190

Cc1csc(N(C)CC(N)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
SLC12A5 Q9H2X9 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NOS1 P29475 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13634191 0.83 SLC12A5 (0.40) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL13270554 0.81 L3MBTL1 (0.41) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13162299 0.77 MAOA (0.40) KDM4ESMN1; SMN2LMNAALDH1A1RAB9A
Hydrochloric Acid SCHEMBL27945128 0.76 SLC12A5 (0.41) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL13425206 0.75 KDM4E (0.40) KDM4ESLC12A5CYP2D6SMN1; SMN2LMNA
SCHEMBL232983 0.74 SMN1; SMN2 (0.40) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL3506347 0.74 MAPK1 (0.42) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL9955496 0.72 SLC12A5 (0.49) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL13634342 0.72 NOS1 (0.38) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1
SCHEMBL13653784 0.72 NPC1 (0.54) KDM4ESLC12A5CYP2D6SMN1; SMN2NOS1

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