SCHEMBL21723463

SCHEMBL21723463

COc1ccc(CN(C)c2ssc(=O)c2Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PSEN1 P49768 5/20 0.42
▸ PSEN2 P49810 5/20 0.42
▸ APH1B Q8WW43 5/20 0.42
▸ NCSTN Q92542 5/20 0.42
▸ APH1A Q96BI3 5/20 0.42
▸ PSENEN Q9NZ42 5/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MEP1B Q16820 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL21723420 0.89 HSP90AA1 (0.46) KDM4EALDH1A1ACHEKMT2A
SCHEMBL21724251 0.88 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL21724450 0.86 TAS2R14 (0.39) KDM4EALDH1A1TAS2R14MEN1KMT2A
SCHEMBL21723953 0.85 HTT (0.41) KDM4EALDH1A1HTT
SCHEMBL21723690 0.83 ALDH1A1 (0.43) KDM4EMITFALDH1A1HTTMEN1
SCHEMBL21723721 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2A
SCHEMBL21723580 0.83 TSHR (0.47) ALDH1A1
SCHEMBL21723880 0.81 PTPN1 (0.45) KDM4EALDH1A1HTTTAS2R14MEN1
SCHEMBL21723648 0.79 ALDH1A1 (0.48) ALDH1A1HTTACHETAS2R14MEN1
SCHEMBL21724804 0.79 DAO (0.43) MITFALDH1A1HTT

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-2020035826-A1 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-02-20 — — WO disclosed
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