SCHEMBL28019758

SCHEMBL28019758

O=C(O)C(O)Cc1ccccc1SCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PTPRA P18433 1/20 0.39
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
CPA1 P15085 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM6B O15054 1/20 0.33
PPARG P37231 4/20 0.33
EPHX2 P34913 1/20 0.33
PPARA Q07869 3/20 0.33
FFAR1 O14842 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
POLQ O75417 1/20 0.31

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
SCHEMBL16815447 1.00 SMN1; SMN2 (0.41) SMN1; SMN2PTPRAKMT2AFFAR4CPA1
SCHEMBL16815699 1.00 SMN1; SMN2 (0.41) SMN1; SMN2PTPRAKMT2AFFAR4CPA1
SCHEMBL16861339 0.76 SMN1; SMN2 (0.46) SMN1; SMN2PTPRAKMT2ACPA1KDM6B
Trifluoroacetic Acid SCHEMBL4598196 0.75 KDM4E (0.36) SMN1; SMN2FFAR4CPA1CYP2C9CYP2C19
SCHEMBL7360936 0.74 APOBEC3G (0.55) FFAR4CYP2D6CYP2C19CYP1A2
SCHEMBL16815322 0.73 PPARG (0.55) SMN1; SMN2PTPRAPPARGEPHX2PPARA
SCHEMBL4597973 0.71 CYP1A2 (0.61) SMN1; SMN2KMT2ACYP2C9CYP1A2
SCHEMBL16815369 0.71 PPARG (0.49) SMN1; SMN2PTPRAFFAR4CYP2D6PPARG
SCHEMBL1822200 0.71 PPARG (0.51) SMN1; SMN2PTPRAKMT2AKDM6BPPARG
SCHEMBL8953481 0.71 PPARG (0.51) SMN1; SMN2PTPRAKMT2AKDM6BPPARG

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
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed