SCHEMBL6301117

SCHEMBL6301117

CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(OCC4CCCC4)cc3Cl)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.72
ALOX5AP P20292 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6133675 0.99 PPARG (0.71) PPARGALOX5APBCL2L1MCL1HDAC3
SCHEMBL7648886 0.90 PPARG (0.81) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6301559 0.90 PPARG (0.80) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7649110 0.90 PPARG (0.80) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL27451551 0.89 PPARG (0.73) PPARGALOX5APHDAC3HDAC4HDAC1
SCHEMBL6301174 0.89 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6135000 0.89 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6301603 0.89 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6307945 0.88 PPARG (0.54) PPARGALOX5APBCL2L1MCL1HDAC3
SCHEMBL6307942 0.88 PPARG (0.54) PPARGALOX5APBCL2L1MCL1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US claimed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed