SCHEMBL5402136

SCHEMBL5402136

CC=Cc1ccccc1N=C=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 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
SCHEMBL5402133 1.00 CYP3A4 (0.48) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL5551100 0.88 CYP3A4 (0.50) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL3099538 0.88 CYP3A4 (0.50) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL31168163 0.88 CYP3A4 (0.50) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL3591773 0.84 CYP3A4 (0.52) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL29127235 0.81 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDMEN1
SCHEMBL10890112 0.79 CYP3A4 (0.50) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL11022955 0.79 NFE2L2 (0.46) CYP3A4TRPA1ALDH1A1MEN1KMT2A
SCHEMBL11022950 0.79 NFE2L2 (0.46) CYP3A4TRPA1ALDH1A1MEN1KMT2A
SCHEMBL29127250 0.78 APOBEC3A (0.42) CYP3A4TRPA1ALDH1A1HPGDMEN1

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-7253229-B2 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2007-08-07 US disclosed
EP-1067144-B1 Polymer-bonded functional agents DAINICHISEIKA COLOR CHEM (JP) 2006-10-25 EP disclosed
US-20050226835-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-10-13 US disclosed
US-6936659-B2 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-08-30 US disclosed
US-20030078346-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2003-04-24 US disclosed
EP-1067144-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2001-01-10 EP disclosed