SCHEMBL15061522

SCHEMBL15061522

[O-][S+](Nc1ccc(F)c(CO)c1F)c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL856583 0.69 TP53 (0.53) MEN1KMT2AKDM4EALDH1A1
SCHEMBL13727114 0.66 DPP4 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL702012 0.62 CES2 (0.37) MEN1KMT2A
SCHEMBL30368120 0.62 CES2 (0.37) MEN1KMT2A
SCHEMBL2114658 0.61 HDAC1 (0.44) KDM4EALDH1A1CA1CA2
SCHEMBL4978674 0.61 MEP1B (0.46) KDM4EALDH1A1CA5ACA5B
SCHEMBL19415705 0.60 CCR2 (0.35)
SCHEMBL8043864 0.60
SCHEMBL19336526 0.59 CCR2 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1561647 0.59 TAAR1 (0.36) CA5ACA5B

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
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed