SCHEMBL6308587

SCHEMBL6308587

CCCNS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Br)cc3Cl)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.62
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
RORC P51449 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6301645 0.95 PPARG (0.65) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308682 0.94 PPARG (0.66) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6304049 0.93 PPARG (0.61) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308782 0.90 PPARG (0.62) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6309517 0.88 PPARG (0.60) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301160 0.88 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303773 0.87 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301623 0.87 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7656313 0.86 PPARG (0.77) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301636 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 3 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
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