SCHEMBL27045997

SCHEMBL27045997

CC(CNc1nc(-c2ccc(-c3cnco3)cc2)c(-c2ccccc2)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.50
▸ XIAP P98170 3/20 0.47
▸ ADORA2A P29274 6/20 0.43
▸ ADORA1 P30542 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PORCN Q9H237 1/20 0.40
▸ AAK1 Q2M2I8 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
SCHEMBL27045994 0.93 PTGS2 (0.42) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27045996 0.91 PTGS2 (0.41) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27049052 0.89 PTGS2 (0.51) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27045847 0.87 PTGS2 (0.47) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27049956 0.86 PTGS2 (0.41) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27045351 0.83 HPGDS (0.35) PTGS2ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL27046359 0.82 PTGS2 (0.50) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27046008 0.82 PTGS2 (0.50) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27045984 0.81 PTGS2 (0.56) PTGS2XIAPADORA2AADORA1ALDH1A1
SCHEMBL27045445 0.81 PTGS2 (0.56) PTGS2XIAPALDH1A1MEN1MAPT

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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