SCHEMBL9339149

SCHEMBL9339149

O=c1[nH]c(=O)n([C@@]2(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H](O)[C@@H](CO)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 1/20 0.37
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
TK1 P04183 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL20636773 0.90 LMNA (0.38) LMNASMN1; SMN2HSP90AA1ALOX12ADRA1A
SCHEMBL1727535 0.88 RNASE1 (0.40) TK1
SCHEMBL4856132 0.87 HSP90AA1 (0.38) LMNASMN1; SMN2HSP90AA1TK1TSHR
SCHEMBL7640415 0.82 RNASE1 (0.38) TK1
SCHEMBL8370048 0.82 RNASE1 (0.38) TK1
SCHEMBL7863893 0.80 RNASE1 (0.37) TK1
SCHEMBL1706305 0.79 RNASE1 (0.38) TK1
SCHEMBL9755145 0.79 RNASE1 (0.38) TK1
SCHEMBL9339166 0.79 LMNA (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL3612838 0.79 TK1 (0.38) LMNASMN1; SMN2ALOX12ADRA1ATK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110257493-A DNA encoding library with the unreadable Encoding oligonucleotides connection of polymerase X-化学有限公司 2019-09-20 CN disclosed
EP-0301873-B1 2'-deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO LTD (JP) 1994-06-08 EP disclosed
EP-0301873-A2 2'-deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-02-01 EP disclosed