SCHEMBL28453946

SCHEMBL28453946

Cc1cccc(C)c1N(CC(=O)O)C1CCS(=O)(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL28460402 0.84 MAPT (0.40) KDM4ESMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL2815306 0.78 HTT (0.39) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL341369 0.68 TDP1 (0.41) KDM4ESMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL7389957 0.68 MAPT (0.40) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL21769890 0.68 HTT (0.36) SMN1; SMN2ALDH1A1HTTMAPTTHRB
SCHEMBL2815309 0.68 HTT (0.39) LMNAHTTMAPTMEN1KMT2A
SCHEMBL28459274 0.67 GAA (0.36) KDM4EALDH1A1TP53LMNAHTT
SCHEMBL2037132 0.65 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL11435633 0.64 ALDH1A1 (0.44) KDM4ESMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL2773909 0.63 CNR2 (0.45) SMN1; SMN2ALDH1A1HTTPOLB

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-108623577-B Preparation method of amonebvir and intermediate thereof 山东百诺医药股份有限公司 2020-09-25 — — CN disclosed
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