SCHEMBL6301163

SCHEMBL6301163

Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
S1PR1 P21453 1/20 0.45
PTPN1 P18031 1/20 0.44
MAPT P10636 1/20 0.43
RORC P51449 1/20 0.41
KAT6A Q92794 1/20 0.41

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
SCHEMBL7652665 0.93 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303624 0.93 PPARG (0.54) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL1178497 0.92 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7648916 0.90 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL1160361 0.89 PPARG (0.57) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL1160394 0.89 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL1160116 0.89 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL6171221 0.88 PPARG (0.69) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303314 0.87 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303316 0.87 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