SCHEMBL11436751

SCHEMBL11436751

O=c1c(F)cn(C2CCCO2)c(=O)n1C1CCCS1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.48
ESR1 P03372 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 7/20 0.36
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL4886558 0.84 LMNA (0.57) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL11096840 0.80 HPGD (0.53) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL27244485 0.75 ALDH1A1 (0.57) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL11096886 0.75 HPGD (0.56) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL5471316 0.73 HPGD (0.63) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL5471315 0.73 HPGD (0.63) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL11098296 0.70 HPGD (0.60) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL9097192 0.69 LMNA (0.55) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL11438845 0.68 HPGD (0.57) HPGDLMNAESR1MAPTALDH1A1
SCHEMBL13531660 0.68 HPGD (0.57) HPGDLMNAESR1MAPTALDH1A1

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-56156278-A None JP disclosed
JP-S56156278-A 5-FLUOROURACIL DERIVATIVE AND ITS PREPARATION TAIHO YAKUHIN KOGYO KK 1981-12-02 JP disclosed