SCHEMBL1055485

SCHEMBL1055485

Brc1cccc(-c2cccc(C3=CCC3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ALDH1A1 P00352 3/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA1 P14867 3/20 0.39
BIRC5 O15392 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
TDP2 O95551 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 1/20 0.37
METAP2 P50579 1/20 0.37

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
SCHEMBL3971131 0.96 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL19027906 0.88 CHRNB4 (0.38) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL13832933 0.83 CHRNB4 (0.40) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL968176 0.82 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1RAB9ANPC1
SCHEMBL971143 0.81 CHRNB4 (0.49) CHRNB4CHRNA3ALDH1A1RAB9ANPC1
SCHEMBL15624388 0.80 ALDH1A1 (0.50) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL191276 0.80 ALDH1A1 (0.50) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL29398919 0.80 ALDH1A1 (0.50) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3
SCHEMBL15823144 0.79 CHRNB4 (0.47) CHRNB4CHRNA3ALDH1A1SMN1; SMN2HPGD
SCHEMBL1345303 0.78 GABRG2 (0.48) CHRNB4CHRNA3ALDH1A1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8581241-B2 Polymer compound, net-like polymer compound produced by crosslinking the polymer compound, composition for organic electroluminescence element, organic electroluminescence element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-12 US disclosed
US-20130020562-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION 2013-01-24 US disclosed
US-20110108814-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-12 US disclosed
EP-2272894-A1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING Mitsubishi Chemical Corporation (JP) 2011-01-12 EP disclosed