SCHEMBL3676467

SCHEMBL3676467

Nc1cccc(Cc2cccc(N)c2Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 2/20 0.38
CASP7 P55210 2/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 1/20 0.38
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
HSPA5 P11021 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 2/20 0.33
KEAP1 Q14145 1/20 0.33
CD44 P16070 1/20 0.33

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
SCHEMBL5929950 0.83 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL6842382 0.83 GABRA1 (0.70) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL31035446 0.83 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL2015386 0.80
SCHEMBL941328 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL3132841 0.76 CD44 (0.46) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL25084418 0.75 GABRA1 (0.42) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL30844600 0.75 GABRA1 (0.42) GABRA1GABRB2ALDH1A1CYP3A4TSHR
SCHEMBL3671514 0.75 LIPG (0.44) GABRA1GABRB2PTGS2
SCHEMBL7886411 0.75 GABRA1 (0.42) GABRA1GABRB2ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352550-B1 Resin composition for laminate MITSUBISHI ELECTRIC CORP (JP) 1996-03-27 EP claimed
US-5091481-A Heat resistance MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-02-25 US claimed
EP-0352550-A2 Resin composition for laminate MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1990-01-31 EP claimed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
US-5661223-A Composition of phenolic resin-modified epoxy resin and straight chain polymer MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1997-08-26 US disclosed
EP-0352550-B1 Resin composition for laminate MITSUBISHI ELECTRIC CORP (JP) 1996-03-27 EP disclosed
US-5091481-A Heat resistance MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
EP-0394965-A2 Resin composition for laminate MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1990-10-31 EP disclosed
EP-0352550-A2 Resin composition for laminate MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1990-01-31 EP disclosed