SCHEMBL9410992

SCHEMBL9410992

CN(C)/C=C(\O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.72
▸ HIF1A Q16665 1/20 0.72
▸ TMEM97 Q5BJF2 1/20 0.72
▸ SIGMAR1 Q99720 1/20 0.72
▸ ADORA2B P29275 4/20 0.65
▸ HSP90B1 P14625 3/20 0.65
▸ ADORA2A P29274 2/20 0.65
▸ ADORA3 P0DMS8 5/20 0.64
▸ TSHR P16473 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ THRB P10828 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ CYP2C19 P33261 1/20 0.60

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
SCHEMBL9410993 1.00 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL5567792 0.89 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL5567795 0.89 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL259441 0.86 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL259442 0.86 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL28188919 0.85 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL2038551 0.85 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL2038557 0.85 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL784035 0.85 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL784034 0.85 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B

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
EP-0624372-A2 Medicament for treating human immunodeficiency virus NIPPON CHEMIPHAR CO., LTD. (JP) 1994-11-17 — — EP disclosed
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