SCHEMBL27045581

SCHEMBL27045581

CCCC(CNc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(Br)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGDR2 Q9Y5Y4 11/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 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
SCHEMBL27045704 0.85 PTGS2 (0.52) ALDH1A1PTGDR2KMT2AKDM4ENPC1
SCHEMBL27045589 0.84 ALDH1A1 (0.41) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045677 0.83 PTGS2 (0.41) ALDH1A1PKMPTGDR2GAAKMT2A
SCHEMBL27045675 0.81 PTGS2 (0.43) ALDH1A1PTGDR2KMT2AKDM4ENPC1
SCHEMBL27045678 0.78 KMT2A (0.49) ALDH1A1HTTGAAKMT2AKDM4E
SCHEMBL27045673 0.77 CNR2 (0.35) PTGDR2KMT2APTGS2MEN1POLB
SCHEMBL27045812 0.76 EGLN2 (0.42) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045236 0.75 PTGDR2 (0.42) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045699 0.73 PTGDR2 (0.43) ALDH1A1PKMPTGDR2HTTKMT2A
SCHEMBL27046426 0.72 ALDH1A1 (0.56) ALDH1A1PKMPTGDR2HTTGAA

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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