SCHEMBL3658125

SCHEMBL3658125

N/C(=N\O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(NO)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 1.00
▸ TP53 P04637 2/20 1.00
▸ STAT6 P42226 2/20 1.00
▸ PAX8 Q06710 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ GALR3 O60755 1/20 0.58
▸ S1PR4 O95977 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ S1PR1 P21453 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ ADK P55263 7/20 0.56
▸ DOT1L Q8TEK3 2/20 0.51
▸ SLC29A1 Q99808 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL3658127 1.00 HIF1A (1.00) HIF1ATP53STAT6PAX8ALDH1A1
Hydrochloric Acid SCHEMBL2386489 0.99 HIF1A (0.98) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL26031534 0.89 HIF1A (0.80) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2788440 0.87 HIF1A (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2788446 0.87 HIF1A (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL25025607 0.87 NPC1 (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL13021233 0.86 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2784937 0.86 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2784929 0.86 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL13021287 0.86 TP53 (0.75) HIF1ATP53STAT6PAX8ALDH1A1

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
EP-2214670-A2 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION Taiga Biotechnologies, Inc. (US) 2010-08-11 — — EP disclosed
WO-2009059304-A2 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION TAIGA BIOTECHNOLOGIES, INC. (US) 2009-05-07 — — WO disclosed
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