SCHEMBL20197479

SCHEMBL20197479

[O-][S+](Nc1ccc(-c2csc(-c3cccc(CO)c3)n2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 12/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SMO Q99835 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B1 P14061 1/20 0.34

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
SCHEMBL20197337 0.84 CYP1A2 (0.40) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197238 0.82 CYP19A1 (0.44) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16535895 0.81 KDM4E (0.41) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197448 0.79 PTGER1 (0.38) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197235 0.78 SREBF2 (0.42) KDM4EALDH1A1MAPT
SCHEMBL20197481 0.78 EIF4E (0.37) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197443 0.78 C1S (0.39) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197223 0.78 SREBF2 (0.42) KDM4EALDH1A1MAPT
SCHEMBL20197222 0.77 KDM4E (0.37) EIF4EKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20197301 0.76 KDM4E (0.34) EIF4EKDM4ESMN1; SMN2NPC1RAB9A

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