SCHEMBL12718550

SCHEMBL12718550

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.35
▸ TK1 P04183 4/20 0.32
▸ LMNA P02545 4/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 2/20 0.30
▸ ALB P02768 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL12718571 0.94 RNASE1 (0.34) RNASE1TK1LMNASMN1; SMN2
SCHEMBL13949130 0.91 RNASE1 (0.36) RNASE1TK1LMNATSHRALB
SCHEMBL12718570 0.86 RNASE1 (0.33) RNASE1
SCHEMBL16158115 0.82 TK1 (0.36) RNASE1TK1LMNATSHRALB
SCHEMBL13169197 0.80 TK1 (0.43) TK1LMNASMN1; SMN2TSHRBLM
SCHEMBL12718545 0.78 TK2 (0.35) LMNABLMPMP22
SCHEMBL12718573 0.75 TK2 (0.48) TK1
SCHEMBL26941474 0.74 LMNA (0.54) TK1LMNATSHRALBPKM
SCHEMBL17732553 0.73 ALDH1A1 (0.38) LMNAALB
SCHEMBL25752104 0.73 TK1 (0.41) TK1

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-7928210-B2 Nucleoside based proliferation imaging markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-04-19 — — US disclosed
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