SCHEMBL6301623

SCHEMBL6301623

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.59
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RORC P51449 1/20 0.37
ACSS2 Q9NR19 2/20 0.37
S1PR1 P21453 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL6308782 0.87 PPARG (0.62) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308587 0.87 PPARG (0.62) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308640 0.87 PPARG (0.76) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7652235 0.86 PPARG (0.80) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301163 0.86 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6309517 0.86 PPARG (0.60) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303773 0.85 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7652665 0.84 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7656313 0.84 PPARG (0.77) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303316 0.83 PPARG (0.55) 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