SCHEMBL3838786

SCHEMBL3838786

[CH2]c1ccccc1S[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPT P10636 3/20 0.31
▸ APOBEC3G Q9HC16 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1336721 0.84 LMNA (0.42) PDE7ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL3044512 0.77 PDE7A (0.37) PDE7ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL5833149 0.74 PDE7A (0.56) PDE7ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL28351783 0.74 LMNA (0.46) PDE7ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL3055047 0.74 GPR35 (0.39) PDE7ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9635033 0.69 APOBEC3G (0.55) SMN1; SMN2ALDH1A1KMT2AMAPTAPOBEC3G
SCHEMBL31163274 0.69 POLB (0.59) SMN1; SMN2LMNAALDH1A1KMT2ATDP1
SCHEMBL2461047 0.69 POLB (0.59) SMN1; SMN2LMNAALDH1A1KMT2ATDP1
SCHEMBL4368894 0.69 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2ATDP1PKM
SCHEMBL11554587 0.68 SIRT1 (0.53) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017027062-A1 PROBES FOR RAPID AND SPECIFIC DETECTION OF MYCOBACTERIA THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-02-16 — — WO disclosed
WO-2016210054-A1 NOVEL RHODOL FLUOROPHORES FOR NEAR-INFRARED IMAGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-12-29 — — WO disclosed
EP-3094623-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO- -LACTAMASE The Board of Trustees of The Leland Stanford Junior University (US) 2016-11-23 — — EP disclosed
WO-2015109056-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO-β-LACTAMASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-23 — — WO disclosed
EP-1996175-A4 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS INC (CA) 2009-06-10 — — EP disclosed
EP-2063894-A2 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES The Regents Of Northwestern University (US) 2009-06-03 — — EP disclosed
EP-2015751-A2 SALTS OF PYRIDAZINE COMPOUNDS Northwestern University (US) 2009-01-21 — — EP disclosed
EP-2015750-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS Northwestern University (US) 2009-01-21 — — EP disclosed
EP-1996175-A1 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION Waratah Pharmaceuticals, Inc. (CA) 2008-12-03 — — EP disclosed
WO-2007130383-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND SECRETASES NORTHWESTERN UNIVERSITY (US) 2007-11-15 — — WO disclosed
WO-2007127375-A2 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES NORTHWESTERN UNIVERSITY (US) 2007-11-08 — — WO disclosed
WO-2007127475-A2 PYRIDAZINES FOR DEMYELINATING DISEASES AND NEUROPATHIC PAIN NORTHWESTERN UNIVERSITY (US) 2007-11-08 — — WO disclosed
WO-2007127474-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2007-11-08 — — WO disclosed
WO-2007127448-A2 SALTS OF PYRIDAZINE COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2007-11-08 — — WO disclosed
WO-2007101353-A1 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS INC. (CA) 2007-09-13 — — WO disclosed
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