SCHEMBL8424441

SCHEMBL8424441

Cc1cn([C@H]2C[C@H](OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.53
TYMS P04818 1/20 0.53
TK1 P04183 5/20 0.52
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
ALB P02768 1/20 0.49
PKM P14618 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL29652182 0.88 RNASE1 (0.56) RNASE1TYMSTK1LMNATSHR
Doxribtimine SCHEMBL20797965 0.87 TYMS (0.63) TYMSTK1LMNA
SCHEMBL548542 0.85 TYMS (0.54) RNASE1TYMSTK1
SCHEMBL30761816 0.84 RNASE1 (0.52) RNASE1TYMSTK1LMNATSHR
SCHEMBL3063249 0.84 TYMS (0.68) TYMSTK1
SCHEMBL8428624 0.84 TYMS (0.68) TYMSTK1
SCHEMBL6046999 0.83 RNASE1 (0.62) RNASE1TYMSTK1LMNATSHR
SCHEMBL6047002 0.83 RNASE1 (0.62) RNASE1TYMSTK1LMNATSHR
Ammonia Solution, Strong SCHEMBL8170309 0.83 TYMS (0.67) TYMSTK1
SCHEMBL19223589 0.82 TK1 (0.63) RNASE1TK1LMNATSHRALB

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
US-5962291-A MONOCLONAL ANTIBODY CAPABLE OF HYDROLYZING A SUBSTRATE; HAS TWO BINDING SITES: ONE FOR FREE METAL ION, ONE FOR SUBSTRATE THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-10-05 US disclosed
EP-0061762-B1 NUCLEOTIDE-BASED SUBSTRATES Baker Instruments Corporation (US) 1988-03-02 EP disclosed