SCHEMBL17732553

SCHEMBL17732553

C=C1NC(=O)C(C)=CN1[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32

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
SCHEMBL17732552 0.79 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1ABL1
SCHEMBL13169197 0.78 TK1 (0.43) LMNA
SCHEMBL14664288 0.76 — —
SCHEMBL14664291 0.76 — —
SCHEMBL20466818 0.75 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1ABL1
SCHEMBL25511430 0.75 — —
SCHEMBL26941474 0.74 LMNA (0.54) LMNAALB
SCHEMBL12718550 0.73 RNASE1 (0.35) LMNAALB
SCHEMBL24517721 0.73 LMNA (0.39) ALDH1A1LMNAALBMAPK1ABL1
SCHEMBL17732557 0.73 ALDH1A1 (0.46) ALDH1A1LMNAALB

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-9334300-B2 Vitamin B6 derivatives of nucleotides, acyclonucleotides and acyclonucleoside phosphonates MBC PHARMA, INC. (US) 2016-05-10 — — US disclosed
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