SCHEMBL7650828

SCHEMBL7650828

Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccc(Br)s3)cc2n1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.53
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
RORC P51449 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
LTC4S Q16873 1/20 0.36

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
SCHEMBL7652833 0.92 PPARG (0.54) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL7656318 0.90 PPARG (0.65) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL8118233 0.90 PPARG (0.56) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL6299210 0.86 MAPT (0.39) PPARGALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6300478 0.85 MAPT (0.38) PPARGALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6300476 0.85 MAPT (0.38) PPARGALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6135129 0.85 PPARG (0.56) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL7652854 0.83 PPARG (0.56) PPARGHDAC1HDAC6HDAC8HDAC3
SCHEMBL6299213 0.83 SLC22A12 (0.45) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7653192 0.82 PPARG (0.56) PPARGHDAC1HDAC6HDAC8HDAC3

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