SCHEMBL7652665

SCHEMBL7652665

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.56
S1PR1 P21453 2/20 0.47
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
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6301163 0.93 PPARG (0.56) PPARGS1PR1HDAC1HDAC6HDAC3
SCHEMBL7648916 0.91 PPARG (0.53) PPARGS1PR1HDAC1HDAC6HDAC3
SCHEMBL6303624 0.91 PPARG (0.54) PPARGS1PR1HDAC1HDAC6HDAC3
SCHEMBL1178497 0.90 PPARG (0.53) PPARGS1PR1HDAC1HDAC6HDAC3
SCHEMBL6134973 0.89 PPARG (0.70) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303641 0.87 PPARG (0.58) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7655927 0.87 PPARG (0.58) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL1160331 0.87 PPARG (0.57) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303697 0.86 PPARG (0.60) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6308625 0.86 PPARG (0.54) PPARGS1PR1HDAC1HDAC6HDAC3

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