SCHEMBL11692201

SCHEMBL11692201

CC(C(=O)O)c1csc(=Nc2ccccc2)n1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
HTT P42858 3/20 0.55
EGLN1 Q9GZT9 1/20 0.45
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.37
PTGS2 P35354 1/20 0.36
RECQL P46063 1/20 0.36
BCL2A1 Q16548 1/20 0.36

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
SCHEMBL11696110 1.00 MAPK1 (0.55) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11692408 0.99 MAPK1 (0.54) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11696558 0.89 MAPK1 (0.46) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11696567 0.89 MAPK1 (0.46) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11692381 0.87 MAPK1 (0.51) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11692388 0.87 MAPK1 (0.51) MAPK1HTTEGLN1MAPTGAA
SCHEMBL11695040 0.84 MAPK1 (0.40) MAPK1HTTEGLN1MAPTSMN1; SMN2
SCHEMBL11695032 0.84 MAPK1 (0.40) MAPK1HTTEGLN1MAPTSMN1; SMN2
SCHEMBL11696588 0.83 MAPK1 (0.45) MAPK1HTTMAPTGAASMN1; SMN2
SCHEMBL11696598 0.83 MAPK1 (0.45) MAPK1HTTMAPTGAASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018785-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1977-04-19 US claimed
US-4018785-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1977-04-19 US disclosed