SCHEMBL27045811

SCHEMBL27045811

CC(C)(CNc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2cccnc2)s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.46
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ NCOA2 Q15596 2/20 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
SCHEMBL27046380 0.90 PTGS2 (0.56) PTGS2PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27046379 0.89 PTGS2 (0.43) PTGS2PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27045503 0.87 PTGS2 (0.47) PTGS2PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27046353 0.85 PTGS2 (0.42) PTGS2ADORA3ADORA2AADORA1KDM4E
SCHEMBL27045580 0.82 PTGS2 (0.46) PTGS2ADORA3ADORA2AADORA1F2
SCHEMBL27045337 0.80 PTGS2 (0.44) PTGS2ADORA3ADORA2AADORA1PTGDR2
SCHEMBL27045675 0.79 PTGS2 (0.43) PTGS2ADORA3ADORA2AADORA1F2
SCHEMBL27045812 0.79 EGLN2 (0.42) PTGS2PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27045590 0.78 PTGS2 (0.46) PTGS2ADORA3ADORA2AADORA1PTGDR2
SCHEMBL27045227 0.78 ACHE (0.44) PTGS2ADORA3ADORA2AADORA1PTGDR2

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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