SCHEMBL7605264

SCHEMBL7605264

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 1.00
▸ ADORA3 P0DMS8 5/20 1.00
▸ ADORA2A P29274 4/20 1.00
▸ ADORA2B P29275 4/20 1.00
▸ P2RY1 P47900 7/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ P2RY2 P41231 3/20 0.70
▸ SRC P12931 2/20 0.70
▸ P2RY11 Q96G91 2/20 0.70
▸ DNPH1 O43598 1/20 0.70
▸ PRKAB2 O43741 1/20 0.70
▸ TRPM2 O94759 1/20 0.70
▸ LDHA P00338 1/20 0.70
▸ ADRB2 P07550 1/20 0.70
▸ FBP1 P09467 1/20 0.70
▸ PRKAG1 P54619 1/20 0.70
▸ PRKAA2 P54646 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ PRKAA1 Q13131 1/20 0.70

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
SCHEMBL6745804 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL27760096 0.90 ADORA1 (0.82) ADORA1ADORA3ADORA2AADORA2BP2RY1
Adenosine SCHEMBL11061671 0.85 ADORA3 (0.85) ADORA1ADORA3ADORA2AADORA2BP2RY1
Adenosine SCHEMBL11061662 0.85 ADORA3 (0.85) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL6745798 0.85 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL10997946 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL7803298 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL12963362 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL5024895 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL481524 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515885-A — — 2002-05-28 — — JP claimed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 — — EP claimed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 — — US claimed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 — — EP claimed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 — — WO claimed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 — — EP disclosed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 — — US disclosed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 — — EP disclosed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 — — WO disclosed
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