SCHEMBL21724487

SCHEMBL21724487

CN(Cc1cc(F)ccc1Br)c1ssc(=O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.33
▸ MAPK14 Q16539 4/20 0.32
▸ AR P10275 2/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ AMY1A P0DUB6 1/20 0.30

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
SCHEMBL21724456 0.91 PYCR1 (0.36) RIPK1MAPK14ARSLC6A2SLC6A4
SCHEMBL21724804 0.79 DAO (0.43) RIPK1
SCHEMBL21723933 0.77 MEN1 (0.46) RIPK1SLC6A3
SCHEMBL21724865 0.77 KDM4E (0.43) RIPK1
SCHEMBL21724332 0.75 RIPK1 (0.44) RIPK1MAPK14
SCHEMBL21724709 0.74 PYCR1 (0.48) SLC6A2SLC6A4
SCHEMBL21723776 0.73 — —
SCHEMBL21723914 0.73 PYCR1 (0.41) —
SCHEMBL21723841 0.73 LMNA (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL21724519 0.72 GAA (0.41) —

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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