SCHEMBL9617693

SCHEMBL9617693

Cc1[nH]c(=O)[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GDA Q9Y2T3 1/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ POLB P06746 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
SCHEMBL12149774 0.79 TYMP (0.38) TYMPNPC1LMNAATAD2SMN1; SMN2
SCHEMBL1271158 0.74 GDA (0.32) TYMPGDA
SCHEMBL9617668 0.72 — —
SCHEMBL11616197 0.69 JAK2 (0.46) TYMPNPC1LMNAATAD2SMN1; SMN2
SCHEMBL1270735 0.68 JAK2 (0.57) TYMPLMNASMN1; SMN2ALDH1A1
SCHEMBL1270724 0.68 TYMP (0.32) TYMP
SCHEMBL2832577 0.68 TYMP (0.46) TYMPATAD2ALDH1A1GDAKDM4E
SCHEMBL1445690 0.67 TYMP (0.56) TYMPNPC1LMNAATAD2SMN1; SMN2
SCHEMBL12900039 0.67 JAK2 (0.41) TYMPLMNAKMT2AMEN1
SCHEMBL1271870 0.66 DAO (0.31) TYMPDAO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4261161-A — — None — — JP disclosed
JP-H04261161-A FLUOROALKYL GROUP-CONTAINING PYRIMIDINE DERIVATIVE AND PRODUCTION THEREOF AGENCY OF IND SCIENCE & TECHNOL 1992-09-17 — — JP disclosed
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