SCHEMBL9044249

SCHEMBL9044249

CCCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.54
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53
PPARG P37231 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL9040948 0.95 L3MBTL1 (0.55) PTGDR2L3MBTL1AGTR1AGTR2PPARG
SCHEMBL9040448 0.91 SMN1; SMN2 (0.56) L3MBTL1AGTR1AGTR2PPARGSMN1; SMN2
SCHEMBL9039348 0.89 PTGDR2 (0.52) PTGDR2L3MBTL1AGTR1AGTR2PPARG
SCHEMBL9040258 0.87 SMN1; SMN2 (0.51) L3MBTL1AGTR1AGTR2PPARGSMN1; SMN2
SCHEMBL8393270 0.87 AGTR1 (0.71) PTGDR2L3MBTL1AGTR1AGTR2PPARG
SCHEMBL9041377 0.85 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9040544 0.84 L3MBTL1 (0.49) PTGDR2L3MBTL1AGTR1AGTR2PPARG
SCHEMBL9041515 0.84 PPARG (0.74) AGTR1AGTR2PPARG
SCHEMBL9041506 0.82 PPARG (0.73) AGTR1AGTR2PPARG
SCHEMBL9042087 0.82 PPARG (0.56) 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