SCHEMBL6301327

SCHEMBL6301327

CCCCCc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)CCCCC)cc32)c(Cl)c1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.83
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
RORC P51449 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
SCHEMBL6134679 0.99 PPARG (0.81) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301610 0.99 PPARG (0.81) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308137 0.98 PPARG (0.83) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303482 0.97 PPARG (0.79) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301169 0.94 PPARG (0.84) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7650594 0.94 PPARG (0.78) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7650777 0.93 PPARG (0.91) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6472946 0.91 PPARG (0.79) PPARGHDAC1HDAC6HDAC3HDAC4
Atx08-001 SCHEMBL29368164 0.91 PPARG (1.00) PPARGHDAC1HDAC6HDAC3HDAC4
Atx08-001 SCHEMBL29691565 0.91 PPARG (1.00) PPARGHDAC1HDAC6HDAC3HDAC4

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