SCHEMBL13638790

SCHEMBL13638790

CSCCCOc1ccc(N)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDIA6 Q15084 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CARM1 Q86X55 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL10870432 0.86 PDIA6 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10702177 0.86 PDIA6 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3936080 0.84 RAB9A (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11650358 0.84 PDIA6 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10870020 0.84 PDIA6 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10702555 0.84 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11444520 0.82 SKP2 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13177803 0.81 CARM1 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13638791 0.79 PDIA6 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21693971 0.79 TSHR (0.56) NPC1RAB9APDIA6MAPTHSD17B10

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