SCHEMBL16639371

SCHEMBL16639371

Brc1cc(Br)cc(-c2cccc(-c3ccc4c(c3)CC4)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.43
▸ CYP11B1 P15538 6/20 0.42
▸ CYP11B2 P19099 6/20 0.42
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ASIC3 Q9UHC3 2/20 0.36
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ CYP2B6 P20813 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
SCHEMBL21615922 0.92 CYP11B1 (0.39) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL12619936 0.88 TDP2 (0.53) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL20079881 0.85 CYP11B1 (0.52) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL16675057 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CHRNB4
SCHEMBL16675049 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CHRNB4
SCHEMBL8231728 0.81 CYP11B1 (0.54) TDP2CYP11B1CYP11B2CYP1A2CHRNB4
SCHEMBL8239837 0.81 CYP11B1 (0.50) TDP2CYP11B1CYP11B2CYP1A2CHRNB4
SCHEMBL21028472 0.79 HSD17B3 (0.49) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL24767719 0.77 ALDH1A1 (0.56) CYP3A4CYP2C9MEN1KMT2AESR1
SCHEMBL28282101 0.77 TDP2 (0.46) TDP2CYP11B1CYP11B2ASIC3ADRA2A

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
EP-2862888-B1 POLYMER COMPOUND, CHARGE TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2019-10-09 — — EP disclosed
US-9391278-B2 Polymer compound, charge-transporting polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, and organic EL light MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-12 — — US disclosed
US-9391278-B2 Polymer compound, charge-transporting polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, and organic EL light MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-12 — — US disclosed
EP-2862888-A1 POLYMER COMPOUND, CHARGE TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING Mitsubishi Chemical Corporation (JP) 2015-04-22 — — EP disclosed
US-20150102334-A1 POLYMER COMPOUND, CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-16 — — US disclosed
US-20150102334-A1 POLYMER COMPOUND, CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-16 — — US disclosed
Send feedback