SCHEMBL1848616

SCHEMBL1848616

O=C=NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
ACP3 P15309 1/20 0.42
MIF P14174 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37

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
SCHEMBL28290795 0.95 EPHX1 (0.39) EPHX1ACP3MIFSLC6A2SLC6A4
SCHEMBL10793721 0.88 MEN1 (0.41) MIFCYP2C19PKMSMN1; SMN2
SCHEMBL10796625 0.88 MEN1 (0.41) MIFCYP2C19PKMSMN1; SMN2
SCHEMBL5693998 0.87 CYP3A4 (0.44) EPHX1ACP3MIFSLC6A2SLC6A4
SCHEMBL16279597 0.87 CYP3A4 (0.49) EPHX1ACP3MIFSLC6A2SLC6A4
SCHEMBL4640624 0.82 MIF (0.46) MIFCYP2D6TSHRCYP2C19TAAR1
SCHEMBL6386364 0.81 MIF (0.65) EPHX1ACP3MIFSLC6A2SLC6A4
SCHEMBL6970517 0.78 MIF (0.67) MIFCYP2C19
SCHEMBL4352912 0.78 MIF (0.43) MIFCYP2D6CYP2C19
SCHEMBL3585197 0.78 MIF (0.43) MIFCYP2D6CYP2C19TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026568-A Slow-release anti-icing polyurethane mixture suitable for steel bridge deck and preparation method thereof 浙江交投丽新矿业有限公司 2024-05-14 CN disclosed
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
CN-106458485-B Paper supply transport roller and its manufacturing method 新智德株式会社 2018-08-31 CN disclosed
CN-107466310-A Polyamide with improved optical characteristics 巴斯夫欧洲公司 2017-12-12 CN disclosed
CN-107075075-A The purposes of thermoplastic polyurethane powder 科思创德国股份有限公司 2017-08-18 CN disclosed
CN-104704017-B The preparation and use of TPUE based on polyether carbonate polyol 科思创德国股份有限公司 2017-08-11 CN disclosed
CN-106794686-A The permeable composite component of water vapour 科思创德国股份有限公司 2017-05-31 CN disclosed
CN-106458485-A Paper feed and conveyance roll and production method therefor 新智德株式会社 2017-02-22 CN disclosed
CN-106459348-A Thermoplastic polyurethanes, production and use thereof 科思创德国股份有限公司 2017-02-22 CN disclosed
CN-102015862-B Halogen-free flame-retardant TPU BASF SE (DE) 2016-03-30 CN disclosed
CN-102382277-B Thermoplastically processable polyurethanes based on propylene glycol succinate BAYER MATERIALSCIENCE AG 2015-04-01 CN disclosed
CN-101341199-B Reduction of transfer of vibrations HENKEL AG & CO KGAA 2012-03-28 CN disclosed
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed
CN-101743262-A thermoplastic polyurethane with antistatic properties BASF SE 2010-06-16 CN disclosed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO disclosed
CN-101341199-A Reduction of transfer of vibrations HENKEL AG & CO KGAA (DE) 2009-01-07 CN disclosed