SCHEMBL6470764

SCHEMBL6470764

CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(OCc4ccccc4)cc3Cl)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.74
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
RORC P51449 1/20 0.41
S1PR1 P21453 1/20 0.41
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SCN9A Q15858 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
SCHEMBL6301071 0.98 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7651430 0.93 PPARG (0.74) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7648886 0.92 PPARG (0.81) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7649110 0.91 PPARG (0.80) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301559 0.91 PPARG (0.80) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308118 0.90 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301603 0.90 PPARG (0.79) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301174 0.90 PPARG (0.79) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6135000 0.90 PPARG (0.79) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301248 0.89 PPARG (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP claimed
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed