SCHEMBL31029970

SCHEMBL31029970

Cc1cn([C@@]2(C(F)F)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.41
TK2 O00142 2/20 0.38
LMNA P02545 2/20 0.38
ALB P02768 2/20 0.38
BLM P54132 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ADRA1A P35348 1/20 0.38
PKM P14618 1/20 0.38
PMP22 Q01453 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5612050 0.90 TK1 (0.42) TK1TK2LMNAALBBLM
SCHEMBL27436150 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL14388593 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL29943756 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL2294 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL29172355 0.83 TK1 (0.37) TK1TK2
SCHEMBL29364921 0.82 TK1 (0.45) TK1LMNAALBBLMALDH1A1
SCHEMBL1517629 0.82 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL887851 0.82 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL4809531 0.81 TK1 (0.44) TK1LMNAALBBLMALDH1A1

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
CN-118440020-B Synthesis method of 6- (difluoromethyl) -1,2, 4-triazine-3, 5 (2H, 4H) -dione compound 南开大学 2025-01-28 CN disclosed
CN-118440020-A Synthesis method of 6- (difluoromethyl) -1,2, 4-triazine-3, 5 (2H, 4H) -dione compound 南开大学 2024-08-06 CN disclosed