SCHEMBL13626148

SCHEMBL13626148

Bc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.42
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12810553 0.93 ALDH1A1 (0.42) CYP2A6CA1CA2TSHRALDH1A1
SCHEMBL13475532 0.91 ALDH1A1 (0.46) CYP2A6TSHRALDH1A1MAPK1TDP1
SCHEMBL21890789 0.89 APP (0.36) CYP2A6
SCHEMBL20832346 0.89 ALDH1A1 (0.54) CYP2A6TSHRALDH1A1TDP1CYP1A2
SCHEMBL23714869 0.86 CYP2A6 (0.57) CYP2A6CA1CA2TSHRALDH1A1
SCHEMBL67004 0.86 CYP2A6 (0.57) CYP2A6CA1CA2TSHRALDH1A1
SCHEMBL22502466 0.83 CYP2A6 (0.53) CYP2A6CA1CA2TSHRALDH1A1
Fluoride SCHEMBL31365993 0.83 CYP2A6 (0.53) CYP2A6CA1CA2TSHRALDH1A1
SCHEMBL881166 0.83 — —
Hydrochloric Acid SCHEMBL1034657 0.80 CYP2A6 (0.50) CYP2A6CA1CA2TSHRALDH1A1

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-3269789-B1 LIGHT EMITTING MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-08-30 — — EP disclosed
EP-3961738-A1 ORGANIC ELECTRONICS MATERIAL AND METHOD FOR PREPARING CHARGE-CARRYING POLYMER Showa Denko Materials Co., Ltd. (JP) 2022-03-02 — — EP disclosed
WO-2021070797-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING ELEMENT 国立大学法人九州大学 2021-04-15 — — WO disclosed
EP-3528298-A1 ORGANIC ELECTRONICS MATERIAL, INK COMPOSITION, ORGANIC ELECTRONICS ELEMENT, AND ORGANIC ELECTRONICS ELEMENT PRODUCTION METHOD Hitachi Chemical Company, Ltd. (JP) 2019-08-21 — — EP disclosed
EP-3457449-A1 CHARGE TRANSPORT MATERIAL, ORGANIC ELECTRONIC ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Hitachi Chemical Company, Ltd. (JP) 2019-03-20 — — EP disclosed
EP-3348620-A1 ORGANIC ELECTRONICS MATERIAL AND USE THEREOF Hitachi Chemical Company, Ltd. (JP) 2018-07-18 — — EP disclosed
EP-3269789-A1 LIGHT EMITTING MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2018-01-17 — — EP disclosed
EP-2980877-B1 ORGANIC ELECTROLUMINESCENT ELEMENT KYULUX INC (JP) 2017-11-29 — — EP disclosed
EP-3093326-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING ELEMENT, AND COMPOUND Kyulux, Inc. (JP) 2016-11-16 — — EP disclosed
EP-2963035-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2016-01-06 — — EP disclosed
EP-1885008-B1 ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEM CORP (JP) 2014-03-12 — — EP disclosed
EP-2117062-A1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2009-11-11 — — EP disclosed
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