SCHEMBL9040948

SCHEMBL9040948

CCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PPARG P37231 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
DRD2 P14416 2/20 0.48
TBXA2R P21731 2/20 0.48
TP53 P04637 2/20 0.47

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
SCHEMBL9044249 0.95 PTGDR2 (0.59) L3MBTL1SMN1; SMN2NPSR1PTGDR2ALDH1A1
SCHEMBL9040448 0.92 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9040544 0.89 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2NPSR1PTGDR2ALDH1A1
SCHEMBL9040258 0.88 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL8395251 0.85 PPARG (0.70) L3MBTL1PPARGAGTR1AGTR2
SCHEMBL9042087 0.85 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL9039348 0.84 PTGDR2 (0.52) L3MBTL1SMN1; SMN2NPSR1PTGDR2ALDH1A1
SCHEMBL9041506 0.83 PPARG (0.73) PPARGAGTR1AGTR2
SCHEMBL9042383 0.83 PPARG (0.60) L3MBTL1LMNAPPARGAGTR1AGTR2
SCHEMBL9040689 0.83 TNF (0.59) PPARGAGTR1AGTR2DRD2TBXA2R

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