SCHEMBL6140286

SCHEMBL6140286

C=CCN(CC=C)c1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 5/20 0.52
TSHR P16473 3/20 0.52
CHKA P35790 1/20 0.45
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GFER P55789 2/20 0.44
PSMD14 O00487 1/20 0.44
RECQL P46063 1/20 0.44
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL127344 0.90 ALDH1A1 (0.52) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL1885835 0.90 CHKA (0.51) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL7590353 0.85 ALDH1A1 (0.52) CYP3A4ALDH1A1TDP1TSHRCHKA
Sulfuric Acid SCHEMBL14324849 0.80 ALDH1A1 (0.42) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL11314504 0.80 TDP1 (0.50) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL9559165 0.80 MAPT (0.44) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL851567 0.79 CHKA (0.50) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL8204834 0.79 ALDH1A1 (0.67) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL9403801 0.79 ALDH1A1 (0.41) CYP3A4ALDH1A1TDP1TSHRCHKA
SCHEMBL11301507 0.78 CHKA (0.40) CYP3A4ALDH1A1TDP1TSHRCHKA

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
US-8828548-B2 Interlayer adhesive, waterproof structure and waterproof construction method DYFLEX CORPORATION (JP) 2014-09-09 US disclosed
US-20130115464-A1 INTERLAYER ADHESIVE, WATERPROOF STRUCTURE AND WATERPROOF CONSTRUCTION METHOD DYFLEX CORPORATION (JP) 2013-05-09 US disclosed
EP-2589635-A1 INTERLAMINAR BONDING AGENT AND WATERPROOF STRUCTURE AND WATERPROOFING METHOD Dyflex Corporation (JP) 2013-05-08 EP disclosed
EP-1260548-B1 Plasticizer and urethane curable composition ASAHI GLASS CO LTD (JP) 2005-03-02 EP disclosed
US-20020198312-A1 Plasticizer and urethane curable composition ASAHI GLASS COMPANY, LIMITED (JP) 2002-12-26 US disclosed
EP-1260548-A1 Plasticizer and urethane curable composition ASAHI GLASS COMPANY LTD. (JP) 2002-11-27 EP disclosed
EP-0199086-A1 Curing agents in polyurethane manufacture UOP (US) 1986-10-29 EP disclosed