SCHEMBL29137741

SCHEMBL29137741

COc1nccc2ccc(Nc3ccc(C(C)Nc4ncc(CC(=O)OCC(=O)NC5COC5)cn4)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.38
BRAF P15056 4/20 0.33
IDH1 O75874 8/20 0.33
NAMPT P43490 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 1/20 0.32
VNN1 O95497 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL29137743 0.87 EZH2 (0.39) EZH2BRAFIDH1LRRK2VNN1
SCHEMBL29137721 0.82 CAMK2D (0.40) BRAFVNN1HDAC3HDAC1HDAC2
SCHEMBL29137722 0.82 BRAF (0.39) BRAFVNN1HDAC3HDAC1HDAC2
SCHEMBL29137720 0.78 EZH2 (0.55) EZH2BRAFLRRK2VNN1
SCHEMBL30768169 0.74 NPC1 (0.41) BRAFIDH1SMN1; SMN2
SCHEMBL32661517 0.71 AURKA (0.34) BRAF
SCHEMBL23169460 0.71 EZH2 (0.61) EZH2VNN1
SCHEMBL32661546 0.70 ACACB (0.37) EZH2BRAFVNN1HDAC3HDAC1
SCHEMBL30768170 0.69 MEN1 (0.38) EZH2BRAFL3MBTL1VNN1HDAC3
SCHEMBL29137730 0.66 ROCK2 (0.40) SMN1; 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
CN-117384153-A Methyltransferase inhibitors and uses thereof 上海赛岚生物科技有限公司 2024-01-12 CN disclosed