SCHEMBL6675436

SCHEMBL6675436

COc1cc(C)c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3N)c(Cl)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL6653544 0.74 MAPK14 (0.53) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL29878293 0.65 CYP3A4 (0.45) TSHRMAPK13MAPK12MAPK11MAPK14
SCHEMBL5493729 0.65 ALDH1A1 (0.52) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL10361182 0.64 MMP2 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6538841 0.64 TDP1 (0.45) KMT2AMEN1ALDH1A1KDM4EHDAC3
SCHEMBL7196493 0.64 MAPK14 (0.69) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL6654067 0.63 MAPT (0.47) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL11574044 0.63 HPGD (0.47) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL8002568 0.63 MEN1 (0.47) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL28689599 0.62 CYP3A4 (0.61) KMT2AMEN1TSHRALDH1A1POLB

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP claimed