SCHEMBL17934776

SCHEMBL17934776

C#Cc1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 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
SCHEMBL17934779 0.91 ALDH1A1 (0.38) ABCG2CA12CA1CA2CA9
SCHEMBL17934775 0.89 ALDH1A1 (0.40) ABCG2CA12CA1CA2CA9
SCHEMBL19624742 0.88 CYP1A2 (0.36) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4570406 0.86 ALDH1A1 (0.39) ABCG2CA12CA1CA2CA9
SCHEMBL31587940 0.82 MAOA (0.44) ABCG2CA12CA1CA2CA9
SCHEMBL236903 0.82 MAOA (0.44) ABCG2CA12CA1CA2CA9
SCHEMBL12730977 0.82 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18417840 0.82 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5031058 0.82 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16484606 0.82 GABRG2 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364316-B2 Conjugated polymer containing ethynyl crosslinking group, mixture, formulation, organic electronic device containing the same and application therof GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2019-07-30 US disclosed
US-20180022865-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTINAING THE SAME AND APPLICATION THEROF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-01-25 US disclosed
US-20180022865-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTINAING THE SAME AND APPLICATION THEROF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-01-25 US disclosed
EP-3246347-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE, COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME AND APPLICATION THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2017-11-22 EP disclosed
WO-2016112761-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE, COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME AND APPLICATION THEREOF 广州华睿光电材料有限公司 2016-07-21 WO disclosed