SCHEMBL28500882

SCHEMBL28500882

O=C(CS)Nc1cnc(Nc2ccc3ccccc3c2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ MAPT P10636 2/20 0.68
▸ POLB P06746 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ CYP1A2 P05177 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HDAC1 Q13547 6/20 0.49
▸ HDAC6 Q9UBN7 6/20 0.49
▸ HDAC3 O15379 5/20 0.49
▸ HDAC4 P56524 5/20 0.49
▸ HDAC8 Q9BY41 5/20 0.49
▸ HDAC7 Q8WUI4 4/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ HDAC10 Q969S8 4/20 0.49
▸ HDAC11 Q96DB2 4/20 0.49
▸ HDAC9 Q9UKV0 4/20 0.49

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
SCHEMBL521958 0.82 MAPT (1.00) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL28514369 0.79 HDAC1 (0.47) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL28500864 0.79 HDAC1 (0.47) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL26397632 0.78 MAPT (0.90) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL2639284 0.77 HDAC1 (0.74) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL28507439 0.74 HDAC6 (0.50) HDAC1HDAC6BLKBTKNOTUM
SCHEMBL28495207 0.72 ABCG2 (0.49) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL8901243 0.71 MAPT (0.72) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL29728198 0.71 MAPT (0.72) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL2638443 0.70 HDAC6 (0.72) MEN1KMT2AMAPTPOLBL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943892-B Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2022-04-05 — — CN claimed
CN-111943892-B Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2022-04-05 — — CN disclosed
CN-111943892-A Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2020-11-17 — — CN disclosed
Send feedback