SCHEMBL8985268

SCHEMBL8985268

CCOC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(N)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
MAPT P10636 6/20 0.47
NPC1 O15118 6/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
GAA P10253 3/20 0.47
PRKCZ Q05513 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8985279 0.84 MAPK14 (0.53) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985313 0.84 MAPK14 (0.58) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985532 0.84 MAPK14 (0.53) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985530 0.83 MAPK14 (0.52) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985473 0.83 MAPK14 (0.56) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985272 0.83 MAPK14 (0.52) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985524 0.82 MAPK14 (0.51) MAPK14MAPTNPC1ALDH1A1GAA
SCHEMBL8985412 0.80 MAPK14 (0.59) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL6018669 0.79 MAPK14 (0.65) MAPK14MAPTNPC1ALDH1A1RAB9A
SCHEMBL8985541 0.76 MAPK14 (0.56) MAPK14NPC1ALDH1A1LMNAOPRD1

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-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed