SCHEMBL27045809

SCHEMBL27045809

O=C(O)C1CN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)cs2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.63
RAB9A P51151 6/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
NPC1 O15118 5/20 0.63
MAPK1 P28482 4/20 0.58
ALDH1A1 P00352 4/20 0.58
AR P10275 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 4/20 0.54
TSHR P16473 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 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
SCHEMBL27045579 0.90 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL27045697 0.88 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL27049855 0.81 L3MBTL1 (0.58) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL3765693 0.78 LMNA (0.72) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL27046977 0.78 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL2555802 0.78 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL27045807 0.78 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL2228768 0.77 RAB9A (0.57) SMN1; SMN2RAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL28548975 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1
SCHEMBL18674588 0.75 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AL3MBTL1NPC1MAPK1

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