SCHEMBL4386465

SCHEMBL4386465

C=Cc1cccc(N)c1.O=[SH2]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
AKR1B1 P15121 1/20 0.40
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL29419578 0.91
SCHEMBL250060 0.91
Hydrochloric Acid SCHEMBL31254145 0.89 CYP19A1 (0.56) CYP19A1MAOAMAOBNPSR1TDP1
Cyanide SCHEMBL27784466 0.85 CYP19A1 (0.52) CYP19A1MAOAMAOBNPSR1TDP1
SCHEMBL12379599 0.79 MAOA (0.56) CYP19A1MAOAMAOBTDP1TP53
SCHEMBL17064393 0.75 CA1 (0.46) CYP19A1MAOAMAOBNPSR1TDP1
SCHEMBL31067513 0.75 CA1 (0.46) CYP19A1MAOAMAOBNPSR1TDP1
SCHEMBL21881 0.74 TDP1 (0.67) CYP19A1MAOAMAOBTDP1TP53
SCHEMBL3629174 0.73
SCHEMBL4387219 0.73 ALDH1A1 (0.55) CYP19A1MAOAMAOBTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411090-B1 Monoazo reactive red dyestuff EVERLIGHT USA INC (US) 2009-11-25 EP disclosed
US-6815536-B2 DYESTUFFS FOR DYEING AND PRINTING OF MATERIALS CONTAINING EITHER CELLULOSE FIBERS, SUCH AS COTTON, ARTIFICIAL COTTON, LINEN, AND ARTIFICIAL LINEN, OR SYNTHETIC POLYAMIDE, SUCH AS WOOL, SILK, AND NYLON ETC. EVERLIGHT USA, INC. 2004-11-09 US disclosed
US-20040087780-A1 Monoazo reactive red dyestuff EVERLIGHT USA, INC. 2004-05-06 US disclosed
EP-1411090-A1 Monoazo reactive red dyestuff Everlight USA, Inc. (US) 2004-04-21 EP disclosed
EP-0777703-B1 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNGIN SYNTHETIC CORP (KR) 2003-06-25 EP disclosed
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
US-5858026-A EXCELLENT DYEING PROPERTIES COMPARED TO THE TRICYCLIC METAL FORMAZAN COMPOUNDS; POST-DYEING SUNLIGHT AND WASHFASTNESS KYUNG-IN SYNTHETIC CORPORATION (KR) 1999-01-12 US disclosed
EP-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed
US-5278293-A Aromatic amide-alkylenesulfonic acid fiber-reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed