SCHEMBL27045697

SCHEMBL27045697

O=C(O)C1CCCN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)cs2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.64
MAPK1 P28482 4/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 5/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
AR P10275 3/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NOTUM Q6P988 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
SCHEMBL27045579 0.93 SMN1; SMN2 (0.71) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL18674588 0.89 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL27045809 0.88 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL27046977 0.87 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL3451243 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL27045507 0.84 RAB9A (0.53) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL27049484 0.84 RAB9A (0.53) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1
SCHEMBL2228768 0.81 RAB9A (0.57) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL18674669 0.80 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL12805634 0.79 ALDH1A1 (0.44) SMN1; SMN2MAPK1ALDH1A1L3MBTL1NPC1

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