SCHEMBL13638865

SCHEMBL13638865

CC1OC(c2csc(N3CCOCC3)n2)O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
AR P10275 12/20 0.51
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL13270611 0.88 AR (0.44) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL13162279 0.87 AR (0.47) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL13162764 0.81 MTOR (0.41)
SCHEMBL13162281 0.81 MAPT (0.37) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL3549078 0.80 SMN1; SMN2 (0.36) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL13161927 0.79 NPC1 (0.36) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL3549732 0.79 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13161918 0.78 AR (0.31) LMNAARNPC1RAB9A
SCHEMBL13162283 0.78 LMNA (0.37) LMNAARNPC1RAB9ASMN1; SMN2
SCHEMBL13161925 0.77 ALDH1A1 (0.32) ARNPC1RAB9ASMN1; SMN2MAPK1

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