SCHEMBL6301174

SCHEMBL6301174

CCCCCCOc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)CCCCC)cc32)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.79
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL6301603 1.00 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6301559 0.99 PPARG (0.80) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7648886 0.98 PPARG (0.81) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6135000 0.97 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6301248 0.95 PPARG (0.77) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7649110 0.94 PPARG (0.80) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7657071 0.93 PPARG (0.74) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6303365 0.92 PPARG (0.81) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7650777 0.91 PPARG (0.91) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6470764 0.90 PPARG (0.74) PPARGHDAC3HDAC4HDAC1HDAC7

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