SCHEMBL5718280

SCHEMBL5718280

CCCNc1cc(Cl)cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(Cl)cc(NCCC)c4F)c(Cl)c3)cc2Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MAPT P10636 4/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDR1 Q08345 1/20 0.32
HDAC3 O15379 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5717920 0.93 KMT2A (0.35) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5718237 0.92 HSD17B10 (0.33) KMT2AMEN1HSD17B10S1PR2S1PR1
SCHEMBL5717781 0.89 KMT2A (0.35) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5717871 0.89 KMT2A (0.38) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5722486 0.89 THRA (0.36) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5718277 0.89 ALDH1A1 (0.35) KMT2AMEN1HSD17B10S1PR2S1PR1
SCHEMBL5717758 0.89 KMT2A (0.35) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5722489 0.88 KMT2A (0.35) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL5717872 0.86 KMT2A (0.33) KMT2AMEN1HSD17B10MAPTPKM
SCHEMBL4930661 0.86 KMT2A (0.38) KMT2AMEN1HSD17B10MAPTPKM

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
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed