SCHEMBL6544263

SCHEMBL6544263

CC(C)(c1ccccc1N=C=O)c1ccccc1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL31318368 0.88 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL58726 0.88 CYP3A4 (0.52) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL10801376 0.84 CYP3A4 (0.42) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL6704455 0.82 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL8103470 0.81 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL11280548 0.80 CYP3A4 (0.44) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL10624633 0.79 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL29648814 0.79 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1TDP1POLB
SCHEMBL75112 0.79 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1TDP1POLB
SCHEMBL1769086 0.79 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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-20040116643-A1 Composite resin and use thereof TOYO INK MFG. CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375558-A1 COMPOSITE RESIN AND USE THEREOF TOYO INK MFG. CO., LTD. (JP) 2004-01-02 EP disclosed
EP-1240229-A1 SPANDEX PREPARED WITH HINDERED DIISOCYANATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-18 EP disclosed
WO-2001025308-A1 SPANDEX PREPARED WITH HINDERED DIISOCYANATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-12 WO disclosed
WO-1991019464-A1 CRIMPED FIBER COMPOSITE ARTICLES AND PROCESSES FOR THE PREPARATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-26 WO disclosed
US-4803019-A REACTING ISOCYANATE CURING AGENT AND BLOCKING AGENT THEN CURING PREPOLYMER MORTON THIOKOL, INC. (US) 1989-02-07 US disclosed