SCHEMBL7652168

SCHEMBL7652168

CCOC(=O)c1ccc2nc(C)n(Cc3ccc(C(=O)OC)cc3Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
KDM4E B2RXH2 3/20 0.53
PDE2A O00408 2/20 0.46
PDE10A Q9Y233 1/20 0.46
ACSS2 Q9NR19 1/20 0.45
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL7654594 0.92 PPARG (0.52) PPARGKDM4EPDE2APDE10AACSS2
SCHEMBL6173254 0.91 PPARG (0.62) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6303866 0.90 PPARG (0.51) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6301170 0.90 PPARG (0.52) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6308856 0.90 PPARG (0.52) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6304484 0.89 PPARG (0.51) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6307898 0.89 PPARG (0.51) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6303281 0.89 PPARG (0.51) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL7657817 0.88 PPARG (0.51) PPARGKDM4EPDE2APDE10AALDH1A1
SCHEMBL6169005 0.87 PDE2A (0.55) PPARGKDM4EPDE2APDE10AALDH1A1

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 2 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 disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed