SCHEMBL11280862

SCHEMBL11280862

COc1ccc(-c2nc(CSC)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.53
RXRA P19793 4/20 0.43
RXRB P28702 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 3/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL14384222 0.82 PPARD (0.49) PPARDRXRARXRBALDH1A1KDM4E
SCHEMBL5586019 0.82 PPARD (0.52) PPARDRXRARXRBKDM4ELMNA
SCHEMBL11279704 0.79 PTGS2 (0.51) PPARDRXRARXRBKDM4ELMNA
SCHEMBL6539938 0.77 NR4A2 (0.69) PPARDRXRARXRBALDH1A1KDM4E
SCHEMBL6539369 0.77 ALDH1A1 (0.42) PPARDALDH1A1KDM4ELMNANPSR1
SCHEMBL3092563 0.76 PPARD (0.53) PPARDRXRARXRBNR4A2NR4A1
SCHEMBL9147494 0.75 SIRT2 (0.55) PPARDRXRARXRBKDM4ELMNA
SCHEMBL31194858 0.74 MAPK13 (0.54) PPARDALDH1A1KDM4ELMNANPSR1
SCHEMBL6539003 0.74 ALDH1A1 (0.46) PPARDALDH1A1KDM4ELMNANPSR1
SCHEMBL6539688 0.74 PPARD (0.53) PPARDRXRARXRBALDH1A1KDM4E

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
EP-0046451-A2 Diaryl-imidazole compounds, methods for their preparation, pharmaceutical drugs containing them and their use CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed