SCHEMBL21724517

SCHEMBL21724517

CN(Cc1ccc(OC(F)(F)F)cc1)c1ssc(=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TEAD1 P28347 1/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD2 Q15562 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 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
SCHEMBL21724598 0.85 CETP (0.44) TRPM8
SCHEMBL21724011 0.85 CNR2 (0.44) LSSSLC6A4PTGDR2TSHRALDH1A1
SCHEMBL21723648 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL21724768 0.83 PYCR1 (0.44) LSSALDH1A1MEN1KMT2A
SCHEMBL21724539 0.82 SMN1; SMN2 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21724804 0.81 DAO (0.43) ALDH1A1NPC1PPARA
SCHEMBL21724014 0.81 POLB (0.42) ALDH1A1MEN1NPC1KMT2ACNR2
SCHEMBL21723970 0.80 SMN1; SMN2 (0.45) —
SCHEMBL21724331 0.79 PYCR1 (0.39) ALDH1A1MEN1NPC1KMT2ACNR2
SCHEMBL21723902 0.78 MTOR (0.38) ALDH1A1MEN1NPC1KMT2A

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