SCHEMBL6406091

SCHEMBL6406091

C(=C/[n+]1ccccc1)\c1ccccc1.[C-]#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.43
MAOB P27338 2/20 0.42
NFE2L2 Q16236 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL6406093 1.00 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL336379 0.93 CHAT (0.48) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL716198 0.93 CHAT (0.48) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4035927 0.91 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5873690 0.91 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5873693 0.91 CHAT (0.46) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL29260334 0.87 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
Formaldehyde SCHEMBL8647908 0.87 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
Formaldehyde SCHEMBL8647913 0.87 CHAT (0.43) CHATMAOBNFE2L2ALDH1A1LMNA
SCHEMBL1099103 0.85 CHAT (0.42) CHATMAOBNFE2L2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63220219-A None JP disclosed
US-6839368-B2 Dipolar organic materials producing highly efficient laser-like emission THAKUR MRINAL (US) 2005-01-04 US disclosed
US-20040213496-A1 Electro-optic modulator BHOWMIK ACHINTYA (US) 2004-10-28 US disclosed
US-6608205-B1 Single crystal thin films; electro-optics; strength, durabi-lity UNIVERSITY OF PUERTO RICO 2003-08-19 US disclosed
US-20030099420-A1 Electro-optic modulator INTEL CORPORATION 2003-05-29 US disclosed
US-6406647-B1 SINGLE CRYSTAL FILMS AND OPTICS THAKUR MRINAL (US) 2002-06-18 US disclosed
US-20020034201-A1 Dipolar organic materials producing highly efficient laser-like emission THAKUR MRINAL (US) 2002-03-21 US disclosed
JP-S63220219-A ELECTROOPTIC ELEMENT AND ITS PRODUCTION FUJITSU LTD 1988-09-13 JP disclosed