SCHEMBL8985272

SCHEMBL8985272

CSc1ccc(-c2cc(C(C)=O)sc2-c2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
OPRD1 P41143 1/20 0.43
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
UBE2N P61088 1/20 0.36
FBP1 P09467 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
SCHEMBL8985419 0.86 MAPK14 (0.52) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985533 0.84 OPRD1 (0.64) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985250 0.83 MAPK14 (0.73) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985268 0.83 MAPK14 (0.57) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985312 0.82 MAPK14 (0.48) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985370 0.82 MAPK14 (0.53) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985541 0.81 MAPK14 (0.56) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985226 0.81 MAPK14 (0.47) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985239 0.81 NPC1 (0.50) MAPK14OPRD1PTGS2PTGS1NPC1
SCHEMBL8985338 0.80 MAPK14 (0.46) MAPK14OPRD1PTGS2PTGS1NPC1

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