SCHEMBL27045982

SCHEMBL27045982

CC(CNc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2cccc3[nH]ccc23)s1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ HPGDS O60760 4/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MCL1 Q07820 2/20 0.34
▸ XIAP P98170 2/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PIP4K2A P48426 1/20 0.33
▸ PIP4K2B P78356 1/20 0.33

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
SCHEMBL27045673 0.88 CNR2 (0.35) CNR2PTGS2MAPK14CTSLCTSB
SCHEMBL27045440 0.88 PTGS2 (0.41) PTGS2MEN1KMT2AS1PR4S1PR5
SCHEMBL27045351 0.85 HPGDS (0.35) PTGS2S1PR4S1PR5HPGDSMCL1
SCHEMBL27045831 0.84 MEN1 (0.37) CNR2PTGS2MAPK14CTSLCTSB
SCHEMBL27045680 0.84 CNR2 (0.37) CNR2PTGS2MAPK14CTSLCTSB
SCHEMBL27045583 0.83 MEN1 (0.36) CNR2PTGS2MAPK14CTSLCTSB
SCHEMBL27045234 0.82 MEN1 (0.37) CNR2PTGS2MAPK14MEN1POLB
SCHEMBL27045984 0.81 PTGS2 (0.56) PTGS2MEN1KMT2APTGDR2XIAP
SCHEMBL27045226 0.80 ACHE (0.39) CNR2PTGS2MEN1POLBKMT2A
SCHEMBL27045983 0.77 PTGS2 (0.43) PTGS2MEN1KMT2APTGDR2XIAP

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
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 — — EP disclosed
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