SCHEMBL9155758

SCHEMBL9155758

CO[C@]1(CO)CC[C@@H](n2cnc3cnc(N)nc32)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PKM P14618 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ADRB1 P08588 1/20 0.30
DNMT1 P26358 1/20 0.30
TMIGD3 P0DMS9 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
SCHEMBL9155751 1.00 KDM4E (0.34) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9149297 0.83 AHCY (0.45) RXFP1HSP90AA1
SCHEMBL9149291 0.83 AHCY (0.45) RXFP1HSP90AA1
SCHEMBL10438033 0.78 LMNA (0.31) ALDH1A1RXFP1
SCHEMBL10438035 0.78 LMNA (0.31) ALDH1A1RXFP1
SCHEMBL9153368 0.77 ADA (0.51) ALDH1A1HSD17B10
SCHEMBL9153371 0.77 ADA (0.51) ALDH1A1HSD17B10
SCHEMBL12060727 0.77 ADA (0.51) ALDH1A1HSD17B10
SCHEMBL9153638 0.77 KDM4E (0.33) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9152465 0.76 ADORA3 (0.51) ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449664-A Nucleosides SYNTEX (U.S.A.) INC. (US) 1995-09-12 US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed