SCHEMBL14111452

SCHEMBL14111452

C[C@@]1(F)C(O)C(CO)O[C@H]1n1cc(B(O)O)c2c(NO)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ ADORA3 P0DMS8 6/20 0.40
▸ ADORA2A P29274 5/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADK P55263 4/20 0.40
▸ PAX8 Q06710 1/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL13598694 0.89 ADORA3 (0.52) HIF1ATP53STAT6ADORA3ADORA2A
SCHEMBL14111460 0.89 ADORA3 (0.38) HIF1AADORA3ADORA2AADORA1ADORA2B
SCHEMBL14111500 0.88 HIF1A (0.43) HIF1ATP53STAT6ADORA3ADORA2A
SCHEMBL14111471 0.88 ADORA3 (0.40) HIF1AADORA3ADORA2AADORA1ADORA2B
SCHEMBL14111576 0.86 HIF1A (0.42) HIF1ATP53STAT6ADORA3ADORA2A
SCHEMBL14111447 0.86 HIF1A (0.42) HIF1ATP53STAT6ADORA3ADORA2A
SCHEMBL14111747 0.86 ADORA2A (0.49) ADORA2AADKPAX8
SCHEMBL14111440 0.86 ADORA2A (0.49) ADORA2AADKPAX8
SCHEMBL14111453 0.84 HIF1A (0.42) HIF1ATP53STAT6ADORA3ADORA2A
SCHEMBL14111449 0.84 TMEM97 (0.49) HIF1ATP53STAT6ADORA3ADORA2A

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-7405204-B2 Nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. (US) 2008-07-29 — — US disclosed
US-7405204-B2 Nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. (US) 2008-07-29 — — US disclosed
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