SCHEMBL7652267

SCHEMBL7652267

Cc1ccc(S(=O)(=O)NC(=O)c2ccc3nc(C)n(Cc4ccc(C#Cc5ccccc5)cc4Cl)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 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
SCHEMBL6134713 0.92 PPARG (0.51) PPARGPTGESALOX5HDAC1HDAC6
SCHEMBL6307816 0.89 PPARG (0.58) PPARGPTGESALOX5HDAC1HDAC6
SCHEMBL1160331 0.88 PPARG (0.57) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6135129 0.88 PPARG (0.56) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6307543 0.88 PPARG (0.61) PPARGPTGESALOX5HDAC1HDAC6
SCHEMBL6304038 0.87 PPARG (0.62) PPARGPTGESALOX5HDAC1HDAC6
SCHEMBL6134973 0.87 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6301186 0.86 PPARG (0.55) PPARGPTGESHDAC1HDAC6HDAC3
SCHEMBL6303913 0.86 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7650760 0.86 PPARG (0.55) 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 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