SCHEMBL7652190

SCHEMBL7652190

CCCC=CS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(C#Cc4ccccc4)cc3Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.58
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
RORC P51449 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7652185 1.00 PPARG (0.58) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7654068 0.91 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7654056 0.91 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7659181 0.88 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7659185 0.88 PPARG (0.59) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134510 0.87 PPARG (0.74) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134507 0.87 PPARG (0.74) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6135157 0.87 PPARG (0.77) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134985 0.86 PPARG (0.62) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6134981 0.86 PPARG (0.62) 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