SCHEMBL21751612

SCHEMBL21751612

COC(=O)c1nc2[nH]ccc2cc1C(NN(C)C(=O)OCc1ccccc1)OCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.34
▸ ATM Q13315 2/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP12 P39900 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
SCHEMBL21751681 0.74 CDK8 (0.36) ROCK2
SCHEMBL23165280 0.65 DGAT1 (0.40) ABCB1MAPTALDH1A1L3MBTL1DGAT1
SCHEMBL21751713 0.62 CDK8 (0.33) —
SCHEMBL9611293 0.61 ALDH1A1 (0.47) ABCB1ATMMAPTALDH1A1TDP1
SCHEMBL23908158 0.61 RIPK1 (0.30) —
SCHEMBL21751683 0.60 HSP90AA1 (0.30) —
SCHEMBL21751780 0.60 PDE3B (0.33) —
SCHEMBL24005756 0.60 CDK8 (0.47) ROCK2ALDH1A1KMT2AL3MBTL1
SCHEMBL23836500 0.60 ABCB1 (0.45) ABCB1MAPTALDH1A1TDP1KMT2A
SCHEMBL857388 0.59 NAMPT (0.52) ROCK2MAPTALDH1A1TDP1KMT2A

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
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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