SCHEMBL9251940

SCHEMBL9251940

O=[N+]([O-])c1cc(-c2ccc(Cc3ccc(-c4ccc(Br)c([N+](=O)[O-])c4)cc3)cc2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SNCA P37840 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL29519283 0.85 ALDH1A1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL672403 0.85 ALDH1A1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL12566736 0.84 MAPT (0.50) CA2CA9CA12MAPTPOLB
SCHEMBL2601600 0.82 CRHBP (0.58) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL10947339 0.79 MAPT (0.48) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL9138875 0.78 ALDH1A1 (0.49) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3073523 0.77 ALDH1A1 (0.47) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL30385788 0.77 ALDH1A1 (0.47) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6208751 0.75 TSHR (0.49) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL15286114 0.75 ALDH1A1 (0.46) MAPTPOLBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408255-B1 Thermoplastic resin composition SUMITOMO CHEMICAL CO (JP) 1995-05-17 EP disclosed
US-5182151-A Polyphenylene ether, propylene graft polymer, rubber, molding material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-01-26 US disclosed
EP-0408255-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-16 EP disclosed