SCHEMBL7652235

SCHEMBL7652235

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

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.80
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SCN5A Q14524 1/20 0.40
SCN9A Q15858 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
SCHEMBL6308640 0.98 PPARG (0.76) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL27451044 0.92 PPARG (0.68) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7650777 0.92 PPARG (0.91) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6472946 0.90 PPARG (0.79) PPARGHDAC3HDAC4HDAC1HDAC7
Atx08-001 SCHEMBL682052 0.89 PPARG (1.00) PPARGHDAC3HDAC4HDAC1HDAC7
Atx08-001 SCHEMBL29691565 0.89 PPARG (1.00) PPARGHDAC3HDAC4HDAC1HDAC7
Atx08-001 SCHEMBL29368164 0.89 PPARG (1.00) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL7650977 0.88 PPARG (0.84) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6303490 0.88 PPARG (0.84) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL6301169 0.88 PPARG (0.84) PPARGHDAC3HDAC4HDAC1HDAC7

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-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
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