SCHEMBL12062005

SCHEMBL12062005

COc1ccc(-c2nc3ccc(C)cc3nc2-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
KDM4E B2RXH2 7/20 0.76
L3MBTL1 Q9Y468 5/20 0.76
LMNA P02545 4/20 0.73
TDP1 Q9NUW8 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
TP53 P04637 3/20 0.53
KMT2A Q03164 3/20 0.51
NQO2 P16083 2/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL14076263 0.95 ALDH1A1 (0.73) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL14492817 0.94 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL12577911 0.94 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL12341701 0.93 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL12553477 0.89 KDM4E (0.96) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL825060 0.89 KDM4E (0.96) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL18083001 0.87 ALDH1A1 (0.93) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL31070206 0.87 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL31415566 0.87 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1LMNATDP1
SCHEMBL31070213 0.87 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1LMNATDP1

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
EP-2169023-B1 Electrically conductive films formed from dispersions comprising polythiophenes and ether containing polymers SAMSUNG ELECTRONICS CO LTD (KR) 2015-09-09 EP disclosed
EP-2762536-A1 Electrically conductive films formed from dispersions comprising polythiophenes and ether containing polymers Samsung Electronics Co., Ltd. (KR) 2014-08-06 EP disclosed
US-8268195-B2 Electrically conductive films formed from dispersions comprising polythiophenes and ether containing polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-09-18 US disclosed
US-20120219879-A1 PROTON EXCHANGE MEMBRANE COMPRISING POLYMER BLENDS FOR USE IN HIGH TEMPERATURE PROTON EXCHANGE MEMBRANE FUEL CELLS EWE-FORSCHUNGSZENTRUM FÜR ENERGIETECHNOLOGIE E.V. (DE) 2012-08-30 US disclosed
US-20100081007-A1 Electrically Conductive Films Formed From Dispersions Comprising Polythiophenes and Ether Containing Polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-04-01 US disclosed