SCHEMBL9856091

SCHEMBL9856091

CC(=O)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TK1 P04183 3/20 0.42
TYMS P04818 1/20 0.42
PYGM P11217 1/20 0.42

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
SCHEMBL15450935 0.88 TYMS (0.54) POLBSMN1; SMN2TK1TYMS
SCHEMBL9856150 0.88 TK1 (0.55) ABCG2ABCB1TK1
SCHEMBL4364020 0.86 RNASE1 (0.48) ABCG2ABCB1ALDH1A1POLBKMT2A
SCHEMBL15492130 0.86 RNASE1 (0.48) ABCG2ABCB1ALDH1A1POLBKMT2A
SCHEMBL13915248 0.86 RNASE1 (0.48) ABCG2ABCB1ALDH1A1POLBKMT2A
SCHEMBL17146890 0.85 TK1 (0.60) ABCG2TK1TYMS
SCHEMBL3066252 0.82 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3085565 0.78 SMN1; SMN2 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL15489691 0.77 RNASE1 (0.49) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL15489639 0.77 RNASE1 (0.49) ALDH1A1POLBKMT2ASMN1; SMN2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed