SCHEMBL9040544

SCHEMBL9040544

CCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.46
PPARG P37231 3/20 0.46
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
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL9039348 0.96 PTGDR2 (0.52) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9041639 0.93 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9040948 0.89 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9040518 0.89 MMP7 (0.53) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL8392654 0.86 PPARG (0.53) L3MBTL1PPARGHDAC3HDAC4HDAC1
SCHEMBL9040598 0.86 PPARG (0.51) PPARGTBXA2RAGTR1AGTR2
SCHEMBL9042213 0.85 PPARG (0.47) L3MBTL1SMN1; SMN2ALDH1A1LMNAPPARG
SCHEMBL9044249 0.84 PTGDR2 (0.59) L3MBTL1SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9043476 0.84 PPARG (0.65) PPARGAGTR1AGTR2
SCHEMBL9043352 0.84 RAB9A (0.55) L3MBTL1LMNAPPARGTBXA2RAGTR1

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