SCHEMBL17243673

SCHEMBL17243673

O=c1c(/C=C/Br)cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ TK2 O00142 5/20 0.45
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL12410837 1.00 TK1 (0.58) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL12410893 0.92 TK1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL21564054 0.84 TK1 (0.44) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2056807 0.84 TK1 (0.44) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205602 0.82 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205610 0.82 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11196613 0.81 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11196617 0.81 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11196618 0.81 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11207613 0.81 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM

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-9181199-B2 Uracil derivatives and use thereof RESPROTECT GMBH (DE) 2015-11-10 — — US disclosed
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