SCHEMBL12733983

SCHEMBL12733983

Cc1cc2c(ccn2C2C[C@@H](O)C(CO)O2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TK2 O00142 1/20 0.49
▸ ALOX12 P18054 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12733981 0.88 TYMS (0.43) —
SCHEMBL9211927 0.87 TK1 (0.50) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9211924 0.87 TK1 (0.50) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL12806692 0.81 TK1 (0.47) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL13166488 0.79 TK1 (0.49) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL12733980 0.78 RNASE1 (0.34) TK1
SCHEMBL29384119 0.78 TK1 (0.53) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL29676843 0.78 TK1 (0.53) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9211446 0.75 LMNA (0.45) TK1LMNASMN1; SMN2
SCHEMBL9211454 0.75 LMNA (0.45) TK1LMNASMN1; SMN2

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
US-20110092382-A1 Modified Nucleic Acid Probes AFFYMETRIX, INC. (US) 2011-04-21 — — US disclosed
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