SCHEMBL23079002

SCHEMBL23079002

Cc1nc2ccc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)cc2c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.51
THRB P10828 17/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C8 P10632 1/20 0.51
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 1/20 0.37
UGT1A1 P22309 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL30460733 0.86 THRA (0.52) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL25768560 0.86 THRA (0.52) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL31301041 0.83 THRB (0.46) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL25286427 0.83 THRB (0.46) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL29612524 0.83 THRB (0.53) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL25873840 0.83 THRB (0.53) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL25242760 0.83 THRA (0.49) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL25245350 0.83 THRA (0.56) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL31266963 0.83 THRA (0.56) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL30511682 0.83 THRA (0.49) THRATHRBCYP2C9CYP2C8NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021043185-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-03-11 WO disclosed