SCHEMBL8267290

SCHEMBL8267290

COc1cc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.72
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 3/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.58
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
ENPP2 Q13822 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TTR P02766 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2202270 1.00 MCHR1 (0.72) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2202275 1.00 MCHR1 (0.72) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2199621 0.90 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL12510833 0.90 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2199619 0.90 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL12510797 0.88 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL4160298 0.88 MCHR1 (0.69) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL4147326 0.88 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2200131 0.88 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTHPGD
SCHEMBL2200126 0.88 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTHPGD

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
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO disclosed