SCHEMBL5077546

SCHEMBL5077546

CCc1cc(C)c2cc(Cc3c(Br)cc([O])cc3Br)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
RAD52 P43351 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4356847 0.90 KDM4E (0.43) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL5077547 0.88 KDM4E (0.45) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL3131792 0.82 THRB (0.53) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL3141802 0.81 MAPT (0.38) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL4356848 0.78 KDM4E (0.43) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL3133511 0.74 THRB (0.51) KDM4ECYP2C19CYP3A4HIF1AHPGD
SCHEMBL3145767 0.73 THRA (0.37) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL10226046 0.68 KDM4E (0.44) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL3969032 0.65 CYP1A2 (0.60) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL21848461 0.65 KDM4E (0.44) KDM4ECYP2C19CYP3A4HIF1AALDH1A1

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed