SCHEMBL4632469

SCHEMBL4632469

CN(c1ccccc1)c1ccc2cc(S(=O)(=O)O)ccc2c1.[Na]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.53
NSD2 O96028 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR3C2 P08235 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP6 P55212 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL29791491 1.00 SNCA (0.53) SNCANSD2NPC1RAB9AHTT
SCHEMBL181239 1.00 SNCA (0.53) SNCANSD2NPC1RAB9AHTT
SCHEMBL4632465 0.98 SNCA (0.51) SNCANSD2NPC1RAB9AHTT
SCHEMBL4130539 0.85 TSHR (0.58) NPSR1NR3C2SMN1; SMN2TSHRALDH1A1
SCHEMBL5666477 0.84 L3MBTL1 (0.46) NPC1RAB9AHTTL3MBTL1NPSR1
SCHEMBL4632466 0.84 L3MBTL1 (0.46) NPC1RAB9AHTTL3MBTL1NPSR1
SCHEMBL16057634 0.84 SNCA (0.55) SNCANSD2NPC1RAB9AHTT
SCHEMBL2763826 0.82 NSD2 (0.69) SNCANSD2NPC1RAB9AHTT
SCHEMBL29289316 0.80 NSD2 (0.67) SNCANSD2NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL27908422 0.80 NSD2 (0.67) SNCANSD2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758447-A4 COLOR-CHANGING FISHING EQUIPMENT PURE FISHING INC (US) 2008-06-04 EP disclosed
EP-1758447-A2 COLOR-CHANGING FISHING EQUIPMENT Pure Fishing, Inc. (US) 2007-03-07 EP disclosed
WO-2006009606-A2 COLOR-CHANGING FISHING EQUIPMENT PURE FISHING, INC. (US) 2006-01-26 WO disclosed
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
EP-0590145-B1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1998-09-02 EP disclosed
US-5512490-A SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS TRUSTEES OF TUFTS COLLEGE (US) 1996-04-30 US disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 US disclosed