SCHEMBL9040448

SCHEMBL9040448

CCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PPARG P37231 1/20 0.50
DRD2 P14416 4/20 0.49
TBXA2R P21731 4/20 0.49
TP53 P04637 2/20 0.49
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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 0.92 L3MBTL1 (0.55) SMN1; SMN2NPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL9044249 0.91 PTGDR2 (0.59) SMN1; SMN2NPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL9040258 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL9041639 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL8391300 0.85 PPARG (0.69) ALDH1A1PPARGAGTR1AGTR2
SCHEMBL9042383 0.85 PPARG (0.60) LMNAL3MBTL1PPARGAGTR1AGTR2
SCHEMBL9041375 0.84 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL9040689 0.84 TNF (0.59) PPARGDRD2TBXA2RAGTR1AGTR2
SCHEMBL9041947 0.84 PPARG (0.51) SMN1; SMN2ALDH1A1LMNAL3MBTL1PPARG
SCHEMBL9040403 0.83 PPARG (0.50) SMN1; SMN2ALDH1A1LMNAL3MBTL1PPARG

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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed