SCHEMBL17934765

SCHEMBL17934765

C#Cc1cccc(N(c2ccccc2)c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP2A6 P11509 1/20 0.32
APAF1 O14727 1/20 0.31
CASP3 P42574 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL17934758 0.88 SIGMAR1 (0.41) SIGMAR1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL17934778 0.86 CYP1A1 (0.40) SIGMAR1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL10160418 0.84 SIGMAR1 (0.38) SIGMAR1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL10338332 0.84 SIGMAR1 (0.47) SIGMAR1CYP1B1CYP1A2CYP3A4CYP2D6
SCHEMBL17934761 0.82 ABCG2 (0.36) ABCG2CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL5612873 0.82 DHFR (0.44) SIGMAR1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL17934775 0.82 ALDH1A1 (0.40) ABCG2CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL29906514 0.82 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL272955 0.82 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27930666 0.80 SIGMAR1 (0.45) SIGMAR1CYP1B1CYP1A2CYP3A4CYP2D6

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