SCHEMBL27045816

SCHEMBL27045816

CC(C)(CNc1nc(-c2ccc(-c3ccc(F)cc3)cc2)cs1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ MEN1 O00255 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ ALOX5 P09917 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ NPY5R Q15761 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48

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
SCHEMBL27045512 0.82 MEN1 (0.53) KMT2ALMNAMEN1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3174446 0.79 LMNA (0.57) KMT2ALMNAMAPK1MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL3173310 0.78 ALDH1A1 (0.57) KMT2ALMNAMAPK1MEN1ALDH1A1
SCHEMBL23628809 0.78 KMT2A (0.53) KMT2ALMNAMAPK1MEN1ALDH1A1
SCHEMBL9003427 0.78 ALDH1A1 (0.63) KMT2ALMNAMAPK1MEN1ALDH1A1
SCHEMBL3174812 0.77 KMT2A (0.52) KMT2ALMNAMAPK1MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL3164230 0.77 KMT2A (0.49) KMT2ALMNAMAPK1MEN1ALDH1A1
SCHEMBL27045812 0.76 EGLN2 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL4590819 0.76 KMT2A (0.56) KMT2ALMNAMAPK1MEN1ALDH1A1
SCHEMBL3178473 0.76 KMT2A (0.62) KMT2ALMNAMAPK1MEN1ALDH1A1

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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