SCHEMBL9039348

SCHEMBL9039348

CCCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 8/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL9040544 0.96 L3MBTL1 (0.49) PTGDR2L3MBTL1SMN1; SMN2NPSR1AGTR1
SCHEMBL9041639 0.92 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9044249 0.89 PTGDR2 (0.59) PTGDR2L3MBTL1SMN1; SMN2NPSR1AGTR1
SCHEMBL9040518 0.88 MMP7 (0.53) L3MBTL1SMN1; SMN2NPSR1AGTR1AGTR2
SCHEMBL8393455 0.88 AGTR1 (0.54) PTGDR2L3MBTL1AGTR1AGTR2PPARG
SCHEMBL9041236 0.86 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL9043483 0.85 PPARG (0.67) AGTR1AGTR2PPARG
SCHEMBL9040948 0.84 L3MBTL1 (0.55) PTGDR2L3MBTL1SMN1; SMN2NPSR1AGTR1
SCHEMBL9042213 0.84 PPARG (0.47) L3MBTL1SMN1; SMN2AGTR1AGTR2ALDH1A1
SCHEMBL9043476 0.84 PPARG (0.65) AGTR1AGTR2PPARG

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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed