SCHEMBL27045702

SCHEMBL27045702

CC(CC(=O)O)Nc1nc(-c2ccc(-c3ccc(F)cc3)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALOX5 P09917 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ NPY5R Q15761 1/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ WNT3A P56704 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL27045822 0.88 LMNA (0.54) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL24590360 0.79 NPY5R (0.57) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL23628809 0.78 KMT2A (0.53) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL27045699 0.76 PTGDR2 (0.43) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL9891898 0.76 LMNA (0.69) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL14085826 0.76 KMT2A (0.74) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL27045988 0.74 PTGS2 (0.56) KMT2AMEN1ALDH1A1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL3174446 0.74 LMNA (0.57) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL23628862 0.74 KMT2A (0.51) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL4590819 0.73 KMT2A (0.56) LMNAMAPK1KMT2AMEN1ALDH1A1

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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