SCHEMBL2641095

SCHEMBL2641095

C=CCc1ccc(C#N)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 1/20 0.47
XDH P47989 1/20 0.47
MAPT P10636 4/20 0.46
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
CNR2 P34972 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CNR1 P21554 2/20 0.46
ALDH2 P05091 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 8/20 0.45
MAOA P21397 5/20 0.45

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
SCHEMBL2164753 0.85 XDH (0.44) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL1739243 0.83 ALDH1A1 (0.43) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL2722893 0.83 TRPV4 (0.52) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL11811295 0.83 XDH (0.43) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL10974908 0.83 XDH (0.61) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL11045702 0.83 XDH (0.43) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL2656097 0.83 XDH (0.43) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL4549472 0.83 TRPV4 (0.47) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL11623855 0.83 XDH (0.43) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL286443 0.79 ALDH1A1 (0.65) ALDH1A1PPARGPPARDPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731078-A Near infrared two-region emission iridium phthalocyanine complex and application thereof 南京大学 2023-09-12 CN claimed
CN-114956672-A Semi-flexible asphalt and preparation method thereof 王志方 2022-08-30 CN claimed
CN-110078739-B Hole transport material, preparation method thereof and perovskite solar cell 南方科技大学 2020-10-30 CN claimed
CN-103329298-B Phthalocyanine/polymer nanocomposite inks for optoelectronics 香港城市大学 2017-04-12 CN claimed
CN-103329298-A Phthalocyanine/polymer nanocomposite inks for optoelectronics UNIV CITY HONG KONG 2013-09-25 CN claimed
US-20130217811-A1 PHTHALOCYANINE/ POLYMER NANOCOMPOSITE INK FOR OPTOELECTONICS CITY UNIVERSITY OF HONG KONG (HK) 2013-08-22 US claimed
WO-2012058788-A1 PHTHALOCYANINE/POLYMER NANOCOMPOSITE INK FOR OPTOELECTRONICS CITY UNIVERSITY OF HONG KONG (CN) 2012-05-10 WO claimed
CN-116731078-A Near infrared two-region emission iridium phthalocyanine complex and application thereof 南京大学 2023-09-12 CN disclosed
CN-114956672-A Semi-flexible asphalt and preparation method thereof 王志方 2022-08-30 CN disclosed
CN-110078739-B Hole transport material, preparation method thereof and perovskite solar cell 南方科技大学 2020-10-30 CN disclosed
CN-103329298-B Phthalocyanine/polymer nanocomposite inks for optoelectronics 香港城市大学 2017-04-12 CN disclosed
CN-106459385-A Organic heteropolymer and method for manufacturing same 株式会社大赛璐 2017-02-22 CN disclosed
US-20170044310-A1 ORGANIC HETEROPOLYMER AND METHOD FOR MANUFACTURING SAME DAICEL CORPORATION (JP) 2017-02-16 US disclosed
US-9200172-B2 Phthalocyanine/ polymer nanocomposite ink for optoelectonics CITY UNIVERSITY OF HONG KONG (HK) 2015-12-01 US disclosed
CN-103329298-A Phthalocyanine/polymer nanocomposite inks for optoelectronics UNIV CITY HONG KONG 2013-09-25 CN disclosed
US-20130217811-A1 PHTHALOCYANINE/ POLYMER NANOCOMPOSITE INK FOR OPTOELECTONICS CITY UNIVERSITY OF HONG KONG (HK) 2013-08-22 US disclosed
WO-2012058788-A1 PHTHALOCYANINE/POLYMER NANOCOMPOSITE INK FOR OPTOELECTRONICS CITY UNIVERSITY OF HONG KONG (CN) 2012-05-10 WO disclosed
JP-2011162575-A METHOD FOR PRODUCING AMINO GROUP-CONTAINING SOLUBLE MONOSUBSTITUTED PHTHALOCYANINE SAITAMA UNIV 2011-08-25 JP disclosed
CN-101255163-A Soluble tetraalkyl phthalocyanine compound and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2008-09-03 CN disclosed