SCHEMBL6601680

SCHEMBL6601680

CN1C(=O)c2ccccc2OC1(C)COc1ccc(CC2SC(=N)NC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 7/20 0.43
FFAR1 O14842 10/20 0.42
PPARA Q07869 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ESR1 P03372 1/20 0.38

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
SCHEMBL6601460 0.92 MEN1 (0.54) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8796971 0.76 PPARG (0.54) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL6601579 0.74 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2AHRH3
SCHEMBL12521889 0.73 MAOB (0.74) MAOBPPARGFFAR1PPARAHRH3
SCHEMBL9535699 0.73 MEN1 (0.57) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL6602019 0.71 PPARG (0.51) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10641821 0.71 KMT2A (0.45) MAOBMEN1ALDH1A1TP53CYP1A2
SCHEMBL8797348 0.70 PPARG (0.56) MEN1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL6602528 0.70 ALDH1A1 (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL27750992 0.69 MAOB (0.66) MAOBMEN1ALDH1A1TP53CYP1A2

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
EP-1036075-B1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES REDDYS LAB LTD DR (IN) 2004-06-23 EP disclosed
US-6313113-B1 AZOLIDINEDIONE DERIVATIVES, ANALOGUES, TAUTOMERIC FORMS, STEREOISOMERS, POLYMORPHS, SALTS AND SOLVATES; TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS REDDY-CHEMINOR, INC. 2001-11-06 US disclosed
EP-1036075-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-20 EP disclosed
WO-1998045291-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-10-15 WO disclosed