SCHEMBL20197448

SCHEMBL20197448

[O-][S+](Nc1ccc(-c2csc(-c3ccc(C(F)(F)F)c(OCc4ccccc4)c3)n2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EIF4E P06730 10/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SREBF2 Q12772 1/20 0.34
CTSS P25774 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
PLAU P00749 1/20 0.33

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
SCHEMBL16535655 0.84 EIF4E (0.39) PTGER1MGAMGAASIMGAM2
SCHEMBL20197479 0.79 EIF4E (0.39) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197337 0.78 CYP1A2 (0.40) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197238 0.77 CYP19A1 (0.44) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197235 0.74 SREBF2 (0.42) KDM4ESREBF2MAPTATM
SCHEMBL20197443 0.74 C1S (0.39) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197481 0.74 EIF4E (0.37) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197223 0.73 SREBF2 (0.42) KDM4ESREBF2MAPTATM
SCHEMBL20197222 0.73 KDM4E (0.37) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20197301 0.72 KDM4E (0.34) 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