SCHEMBL8776005

SCHEMBL8776005

O=c1[nH]cc(C=CF)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.59
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
CYP19A1 P11511 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
HTT P42858 1/20 0.48
HBB P68871 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.43
ATAD2 Q6PL18 1/20 0.43
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL6512588 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL190003 0.79 DPYD (0.62) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL933037 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL6374582 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL190377 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL190378 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL15798473 0.79 DPYD (0.62) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL6374591 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL65892 0.79 DPYD (0.62) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL8966741 0.79 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719271-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-07-03 EP claimed
WO-1995007917-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-03-23 WO claimed
EP-0719271-B1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1997-11-26 EP disclosed
EP-0719271-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-07-03 EP disclosed
WO-1995007917-A1 5-(1-FLUORO-VINYL)-1H-PYRIMIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-03-23 WO disclosed