SCHEMBL5717871

SCHEMBL5717871

CCCNc1cccc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cccc(NCCC)c4F)c(Cl)c3)cc2Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.34

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
SCHEMBL5717975 0.90 KMT2A (0.39) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5722468 0.89 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5718280 0.89 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5717866 0.89 HPGD (0.40) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5717848 0.89 KMT2A (0.39) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5718237 0.88 HSD17B10 (0.33) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5722573 0.88 KMT2A (0.39) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL4932794 0.87 HPGD (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5718130 0.84 MRGPRX4 (0.41) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL5718089 0.83 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1HPGD

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