SCHEMBL18744095

SCHEMBL18744095

COCC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](F)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ EIF4E P06730 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ TOP1 P11387 1/20 0.57
▸ THPO P40225 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ PNP P00491 3/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ATG7 O95352 4/20 0.37
▸ NT5E P21589 2/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ ATIC P31939 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
SCHEMBL15788414 0.89 LMNA (0.59) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL17232092 0.79 LMNA (0.46) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL18744101 0.79 PNP (0.70) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL12151510 0.78 LMNA (0.73) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL25520855 0.78 LMNA (0.73) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL15788460 0.78 PNP (0.59) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL12879138 0.77 LMNA (0.68) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL12879143 0.77 LMNA (0.68) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL15031296 0.74 LMNA (0.74) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL14546644 0.74 LMNA (0.74) LMNASMN1; SMN2ADORA1ALDH1A1TSHR

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
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