SCHEMBL4565170

SCHEMBL4565170

CS(=O)(=O)NCc1nc2cc(Oc3ccc(CCC(=O)O)c(Br)c3Br)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
CHRM1 P11229 1/20 0.36
PRKAG1 P54619 3/20 0.35
PRKAA2 P54646 3/20 0.35
PRKAB1 Q9Y478 3/20 0.35
PRKAA1 Q13131 1/20 0.35
APEX1 P27695 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
GCK P35557 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
BRD4 O60885 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3983000 0.82 THRA (0.47) KDM4EPPARGPPARDPPARACHRM1
SCHEMBL13576220 0.75 THRA (0.47) KDM4ECHRM1APEX1GRIN1GRIN2B
SCHEMBL3982070 0.64 THRA (0.49) KDM4ECHRM1PRKAG1PRKAA2PRKAB1
SCHEMBL3982935 0.62 THRA (0.54) ALDH1A1
SCHEMBL11192254 0.60 AKR1C2 (0.52) KDM4EGRIN1GRIN2BALDH1A1MAPT
SCHEMBL11217654 0.59 PRKAG1 (0.69) KDM4EPPARGCHRM1PRKAG1PRKAA2
SCHEMBL6473944 0.59 APEX1 (0.79) KDM4ECHRM1PRKAG1PRKAA2PRKAB1
SCHEMBL14930220 0.59 MAPT (0.52) KDM4ECHRM1PRKAG1PRKAA2PRKAB1
SCHEMBL9754854 0.59 KDM4E (0.45) KDM4ECHRM1PRKAG1PRKAA2PRKAB1
SCHEMBL16176662 0.59 THRB (0.60) KDM4EALDH1A1MAPTSMN1; SMN2

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-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed