SCHEMBL6307995

SCHEMBL6307995

Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)s3)cc2n1Cc1ccc(-c2ccco2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 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
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PTGER3 P43115 1/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL7652833 0.89 PPARG (0.54) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301598 0.88 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7655132 0.87 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7656766 0.86 PPARG (0.67) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308815 0.86 PPARG (0.51) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301204 0.85 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7652854 0.84 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134751 0.84 PPARG (0.71) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301550 0.84 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134452 0.83 PPARG (0.75) 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