SCHEMBL6301136

SCHEMBL6301136

CCCCOc1ccc(Cn2c(C)nc3ccc(C(=O)NS(=O)(=O)c4ccc(C)cc4)cc32)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.62
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 2/20 0.41
PTGER4 P35408 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LGALS8 O00214 1/20 0.40
LGALS3 P17931 1/20 0.40

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
SCHEMBL6308572 0.98 PPARG (0.63) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL6303474 0.98 PPARG (0.62) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL6301141 0.97 PPARG (0.58) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL6307796 0.94 PPARG (0.54) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL7652842 0.94 PPARG (0.57) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL6134953 0.92 PPARG (0.52) PPARGBCL2L1MCL1ALDH1A1PTGER4
SCHEMBL6303634 0.90 PPARG (0.57) PPARGALDH1A1PTGER4HDAC3HDAC4
SCHEMBL7654833 0.88 PPARG (0.52) PPARGBCL2L1MCL1TP53MAPT
SCHEMBL6301625 0.88 PPARG (0.63) PPARGALDH1A1PTGER4HDAC3HDAC4
SCHEMBL6304245 0.87 PPARG (0.64) PPARGALDH1A1PTGER4HDAC3HDAC4

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