SCHEMBL28447536

SCHEMBL28447536

COC(=O)c1cc2nsnc2cc1CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL28447883 0.85 KMT2A (0.44) L3MBTL1KDM4ERAB9AALDH1A1TP53
SCHEMBL28450703 0.78 L3MBTL1 (0.43) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL31123647 0.77 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11274332 0.77 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554580 0.76 L3MBTL1 (0.52) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL28445077 0.76 KMT2A (0.37) L3MBTL1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL7573622 0.75 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL21074369 0.75 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL1648268 0.75 L3MBTL1 (0.54) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12772533 0.75 L3MBTL1 (0.54) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9

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-111606928-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-09-01 — — CN disclosed
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