SCHEMBL20197232

SCHEMBL20197232

O=C(NC1CCCCC1)c1cc(-c2nc(-c3ccc(NSC(F)(F)F)cc3Cl)cs2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 13/20 0.43
CNR1 P21554 4/20 0.40
TYR P14679 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL20197276 0.96 EIF4E (0.45) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16536194 0.87 EIF4E (0.43) EIF4ECNR1TYRNPC1RAB9A
SCHEMBL16535952 0.83 EIF4E (0.45) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197306 0.78 PRKD1 (0.39) TYRKDM4E
SCHEMBL20197340 0.76 EIF4E (0.53) EIF4ECNR1NPC1RAB9ASMN1; SMN2
SCHEMBL20197302 0.73 SMN1; SMN2 (0.46) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197309 0.72 CYP1B1 (0.41) EIF4ECNR1NPC1RAB9ASMN1; SMN2
SCHEMBL20197240 0.72 ALDH1A1 (0.53) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197440 0.70 KDM4E (0.36) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197318 0.69 EIF4E (0.46) EIF4ENPC1RAB9ASMN1; SMN2KDM4E

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-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed