SCHEMBL6301625

SCHEMBL6301625

CCCCc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)cc32)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.63
RORC P51449 1/20 0.42
AGTR2 P50052 4/20 0.41
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
AGTR1 P30556 3/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PTGER4 P35408 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
SCHEMBL6304245 0.98 PPARG (0.64) PPARGRORCAGTR2HDAC1HDAC6
SCHEMBL6307858 0.97 PPARG (0.64) PPARGRORCAGTR2HDAC1HDAC6
SCHEMBL6303697 0.92 PPARG (0.60) PPARGRORCHDAC1HDAC6HDAC3
SCHEMBL6301186 0.90 PPARG (0.55) PPARGRORCHDAC1HDAC6HDAC3
SCHEMBL6301136 0.88 PPARG (0.62) PPARGRORCAGTR2HDAC1HDAC6
SCHEMBL6134973 0.87 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308137 0.87 PPARG (0.83) PPARGRORCAGTR2HDAC1HDAC6
SCHEMBL6308572 0.87 PPARG (0.63) PPARGAGTR2HDAC1HDAC6HDAC3
SCHEMBL6303474 0.86 PPARG (0.62) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303641 0.86 PPARG (0.58) 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