SCHEMBL13634296

SCHEMBL13634296

Cc1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
SCD O00767 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 2/20 0.36
OGA O60502 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL13634303 0.85 HRH3 (0.48) HRH3SCDSMN1; SMN2ARMAPT
SCHEMBL27811805 0.80 SCD (0.41) HRH3SCDSMN1; SMN2NPC1RAB9A
SCHEMBL3559247 0.80 HRH3 (0.55) HRH3SMN1; SMN2POLBL3MBTL1DPP4
SCHEMBL13634230 0.80 HRH3 (0.55) HRH3SCDSMN1; SMN2POLBL3MBTL1
SCHEMBL2772627 0.80 SCD (0.50) HRH3SCDOGAEPHX2
SCHEMBL2770250 0.79 HRH3 (0.58) HRH3SCDSMN1; SMN2POLBL3MBTL1
SCHEMBL27868481 0.77 HRH3 (0.48) HRH3SCDNPC1HTTRAB9A
SCHEMBL27811807 0.77 HRH3 (0.44) HRH3SCDSMN1; SMN2NPC1LMNA
SCHEMBL13634292 0.76 HRH3 (0.52) HRH3SMN1; SMN2POLBL3MBTL1DPP4
SCHEMBL10136842 0.75 HRH3 (0.49) HRH3SMN1; SMN2POLBL3MBTL1DPP4

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