SCHEMBL7654594

SCHEMBL7654594

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
PDE2A O00408 2/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL7652168 0.92 PPARG (0.54) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL7651458 0.91 PPARG (0.56) PPARGALDH1A1ACSS2MAPTHDAC3
SCHEMBL6173254 0.91 PPARG (0.62) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6301170 0.90 PPARG (0.52) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6308856 0.90 PPARG (0.52) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6304484 0.89 PPARG (0.51) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6307898 0.89 PPARG (0.51) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6303281 0.89 PPARG (0.51) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6301641 0.88 PDE2A (0.51) PPARGPDE2APDE10AALDH1A1L3MBTL1
SCHEMBL6303866 0.88 PPARG (0.51) PPARGPDE2APDE10AALDH1A1L3MBTL1

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