SCHEMBL6134751

SCHEMBL6134751

CCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(-c4ccco4)cc3Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.71
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6134452 0.98 PPARG (0.75) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6307886 0.90 PPARG (0.58) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6304186 0.88 PPARG (0.76) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6135086 0.88 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6135080 0.88 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301550 0.88 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301204 0.88 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6492336 0.86 PPARG (0.52) PPARGPOLBMAPTKDM4EMEN1
SCHEMBL6301598 0.86 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134720 0.86 PPARG (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed
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