SCHEMBL20197276

SCHEMBL20197276

O=C(NC1CC1)c1cc(-c2nc(-c3ccc(NSC(F)(F)F)cc3Cl)cs2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 19/20 0.45
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20197232 0.96 EIF4E (0.43) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL16535952 0.86 EIF4E (0.45) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL16536194 0.83 EIF4E (0.43) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL20197302 0.75 SMN1; SMN2 (0.46) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL20197306 0.75 PRKD1 (0.39) KDM4E
SCHEMBL20197340 0.74 EIF4E (0.53) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL20197240 0.73 ALDH1A1 (0.53) EIF4EKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20197440 0.72 KDM4E (0.36) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL20197318 0.71 EIF4E (0.46) EIF4EKDM4ENPC1CRHBPRAB9A
SCHEMBL20197309 0.71 CYP1B1 (0.41) EIF4EKDM4ENPC1CRHBPRAB9A

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