SCHEMBL16631956

SCHEMBL16631956

Cc1[nH]c(=O)ncc1[C@H]1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADRB1 P08588 1/20 0.37
DNMT1 P26358 1/20 0.37
TK2 O00142 1/20 0.37
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16631724 0.85 LMNA (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL27054425 0.77 ADRB1 (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL24420510 0.77 ADRB1 (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16631516 0.76 PYGL (0.44) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL27056556 0.75 KDM4E (0.39) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL8356828 0.74 ADRB1 (0.38) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16631523 0.73 PYGL (0.37)
SCHEMBL16631380 0.72 PYGL (0.36) LMNATSHR
SCHEMBL22639182 0.72 KDM4E (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL8927834 0.72 LMNA (0.38) TK1LMNASMN1; SMN2ADRB1DNMT1

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
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed