SCHEMBL20004608

SCHEMBL20004608

COc1cc2c(cc1SN1CCN(C)CC1)CCC(=O)C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PARP1 P09874 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.31
POLB P06746 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
SCHEMBL20366552 0.91 ALK (0.34) ALKSMN1; SMN2ALDH1A1PARP1MAPT
SCHEMBL20004650 0.80 ALK (0.38) ALKALDH1A1PARP1KMT2A
SCHEMBL897511 0.77 MAPT (0.57) ALKSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL20004601 0.75 ALDH1A1 (0.34) ALKSMN1; SMN2ALDH1A1PARP1MAOA
SCHEMBL20004206 0.74 ALK (0.38) ALKSMN1; SMN2ALDH1A1PARP1GAA
SCHEMBL20061137 0.73 S100B (0.38) ALKALDH1A1PARP1MAPTGAA
SCHEMBL897525 0.73 ALK (0.43) ALKALDH1A1MAPTGAA
SCHEMBL897012 0.73 HTR2A (0.45) ALK
SCHEMBL27087621 0.72 ALK (0.38) ALKALDH1A1PARP1GAAMEN1
SCHEMBL29940534 0.72 ALK (0.38) ALKALDH1A1PARP1GAAMEN1

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
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed