SCHEMBL27045812

SCHEMBL27045812

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGDR2 Q9Y5Y4 9/20 0.41
▸ HTT P42858 1/20 0.40
▸ TMPRSS15 P98073 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37

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 0.84 PTGS2 (0.56) ALDH1A1PTGDR2KMT2AKDM4ENPC1
SCHEMBL27046379 0.81 PTGS2 (0.43) EGLN2ALDH1A1PKMPTGDR2GAA
SCHEMBL27045589 0.79 ALDH1A1 (0.41) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045811 0.79 PTGS2 (0.46) EGLN2ALDH1A1PTGDR2KMT2AKDM4E
SCHEMBL27045816 0.76 KMT2A (0.53) ALDH1A1HTTGAAKMT2AKDM4E
SCHEMBL27045236 0.76 PTGDR2 (0.42) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045581 0.76 ALDH1A1 (0.38) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045699 0.74 PTGDR2 (0.43) ALDH1A1PKMPTGDR2HTTKMT2A
SCHEMBL27045232 0.74 VCP (0.43) ALDH1A1PKMPTGDR2HTTGAA
SCHEMBL27045819 0.73 PTGDR2 (0.42) ALDH1A1PKMPTGDR2HTTKMT2A

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
Send feedback