SCHEMBL23156236

SCHEMBL23156236

C#CCNc1cc(C)c(S(C)(=O)=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.44
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 3/20 0.38
▸ PTAFR P25105 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ P2RX7 Q99572 3/20 0.36
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL23144014 0.86 LRRK2 (0.47) LRRK2KMT2AALDH1A1PTAFRSMN1; SMN2
SCHEMBL31269821 0.86 LRRK2 (0.47) LRRK2KMT2AALDH1A1PTAFRSMN1; SMN2
SCHEMBL31363915 0.77 SMN1; SMN2 (0.51) KMT2AALDH1A1HTTSMN1; SMN2PKM
SCHEMBL23144748 0.77 TOP2B (0.48) LRRK2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL30870921 0.77 SMN1; SMN2 (0.51) KMT2AALDH1A1HTTSMN1; SMN2PKM
SCHEMBL23144232 0.74 LRRK2 (0.35) LRRK2MEN1KMT2AHTTLMNA
SCHEMBL29812116 0.74 LRRK2 (0.35) LRRK2MEN1KMT2AHTTLMNA
SCHEMBL31364019 0.73 IDH1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL15478495 0.70 MEN1 (0.57) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL23144259 0.70 CA2 (0.55) ALDH1A1LMNAGAAHPGD

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-2021061643-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-04-01 — — WO disclosed
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