SCHEMBL27046426

SCHEMBL27046426

Cc1sc(NCC(C)C(=O)O)nc1-c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ PKM P14618 1/20 0.56
▸ HTT P42858 2/20 0.51
▸ XIAP P98170 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ GSTO1 P78417 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL23628785 0.87 ALDH1A1 (0.56) ALDH1A1PKMHTTXIAPGAA
SCHEMBL27045589 0.87 ALDH1A1 (0.41) ALDH1A1PKMHTTXIAPGAA
SCHEMBL27046424 0.85 PTGDR2 (0.40) ALDH1A1PKMHTTXIAPGAA
SCHEMBL27045984 0.85 PTGS2 (0.56) ALDH1A1XIAPMAPTKMT2AMEN1
SCHEMBL27045983 0.82 PTGS2 (0.43) ALDH1A1PKMXIAPGAAMAPT
SCHEMBL27045580 0.80 PTGS2 (0.46) ALDH1A1XIAPMAPTRAB9AKMT2A
SCHEMBL23628809 0.77 KMT2A (0.53) ALDH1A1HTTGAAMAPTRAB9A
SCHEMBL9891800 0.76 ALDH1A1 (0.70) ALDH1A1PKMHTTXIAPGAA
SCHEMBL27045982 0.76 CNR2 (0.37) XIAPKMT2AMEN1PTGDR2POLB
SCHEMBL23628857 0.74 ALDH1A1 (0.43) ALDH1A1PKMXIAPGAAMAPT

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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