SCHEMBL3427310

SCHEMBL3427310

O=S(=O)(O)c1ccc(N=Nc2cccc(O)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ RPS6KA3 P51812 1/20 0.59
▸ ATIC P31939 1/20 0.58
▸ GLO1 Q04760 2/20 0.53
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA7 P43166 1/20 0.46
▸ PHLPP2 Q6ZVD8 4/20 0.45
▸ CYP2C9 P11712 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ PTGS1 P23219 1/20 0.42

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
SCHEMBL17951495 0.88 POLB (0.68) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5408798 0.83 ATIC (0.59) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL18624977 0.80 POLB (0.83) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL28560987 0.80 POLB (0.83) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL5364165 0.79 RPS6KA3 (0.62) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL24187557 0.79 ATIC (0.81) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL131176 0.78 MEN1 (0.56) POLBCYP2D6GLO1CA2HSD17B10
SCHEMBL6125745 0.77 POLB (0.66) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL8947084 0.77 POLB (0.66) POLBCYP2D6RPS6KA3ATICGLO1
SCHEMBL3917038 0.76 ATIC (0.58) POLBCYP2D6RPS6KA3ATICGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148317-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2015-05-28 — — US disclosed
US-20130324500-A1 SPINAL CORD INJURY, INFLAMMATION AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2013-12-05 — — US disclosed
US-20130324509-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2013-12-05 — — US disclosed
US-7855325-B2 Use of nitric oxide modulators in Agrobacterium-mediated plant transformation MONSANTO TECHNOLOGY LLC (US) 2010-12-21 — — US disclosed
US-20100196481-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2010-08-05 — — US disclosed
US-20080274547-A1 USE OF NITRIC OXIDE MODULATORS IN AGROBACTERIUM-MEDIATED PLANT TRANSFORMATION MONSANTO TECHNOLOGY LLC 2008-11-06 — — US disclosed
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