SCHEMBL6506714

SCHEMBL6506714

O=C1NC(=O)C(Cc2ccc(C#CCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
FFAR1 O14842 3/20 0.45
FPR2 P25090 8/20 0.45
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
USP2 O75604 3/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 3/20 0.43
ABCB11 O95342 2/20 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
SCHEMBL8121082 0.84 FFAR1 (0.55) PPARGHDAC6HDAC3HDAC4HDAC1
SCHEMBL6514244 0.79 PIM1 (0.49) HDAC6FPR2LMNAMAPTUSP2
SCHEMBL6533562 0.79 PIM1 (0.49) HDAC6FPR2LMNAMAPTUSP2
SCHEMBL6505379 0.78 FPR2 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6529595 0.77 PPARG (0.48) PPARGFFAR1MAPTCYP3A4TP53
SCHEMBL6506248 0.77 PTAFR (0.44) PPARGFFAR1MAPTCYP3A4TP53
SCHEMBL8128813 0.72 PPARG (0.63) PPARGFFAR1MAPTCYP3A4TP53
SCHEMBL6505839 0.69 PPARG (0.46) PPARGFFAR1MAPTCYP3A4TP53
SCHEMBL6509096 0.69 PPARG (0.50) PPARGFFAR1MAPTHRH3
SCHEMBL6528104 0.67 PPARG (0.43) PPARGFFAR1MAPTCYP3A4TP53

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
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed