SCHEMBL6135558

SCHEMBL6135558

Cc1nc2ccc(C(=O)NS(=O)(=O)/C=C/c3ccccc3)cc2n1Cc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
HDAC6 Q9UBN7 6/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC10 Q969S8 1/20 0.42
S1PR1 P21453 1/20 0.41
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
RORC P51449 1/20 0.40
SCN9A Q15858 1/20 0.39
APP P05067 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6135561 1.00 PPARG (0.53) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6303963 0.93 PPARG (0.53) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6303966 0.93 PPARG (0.53) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6303312 0.91 PPARG (0.56) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6303310 0.91 PPARG (0.56) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6307804 0.88 PPARG (0.54) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL7651157 0.88 PPARG (0.59) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6134141 0.88 PPARG (0.68) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL7651149 0.88 PPARG (0.59) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6134137 0.88 PPARG (0.68) PPARGHDAC6HDAC1HDAC2HDAC8

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 5 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
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed
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