SCHEMBL6134713

SCHEMBL6134713

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
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
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 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
SCHEMBL7652267 0.92 PPARG (0.54) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7652979 0.89 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7652972 0.89 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7649091 0.89 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7650293 0.88 PPARG (0.65) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7649107 0.86 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7654068 0.85 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7654056 0.85 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL7648916 0.84 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303913 0.83 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 8 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-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed
CN-1135224-C Benzimidazole derivatives ����ҩƷ��ҵ��ʽ���� 2004-01-21 CN 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
CN-1268123-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed