SCHEMBL27481120

SCHEMBL27481120

O=C(O)N[CH]C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL3751216 0.71 HDAC3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL3404312 0.71 HDAC3 (0.42) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL1007576 0.69 MAPT (0.62) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5482288 0.68 POLB (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5869639 0.68 POLB (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29711937 0.68 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL224931 0.68 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7421342 0.68 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29196425 0.68 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL6421466 0.67 GPR3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240605-A The preparation method of qinghaosu dimer 中国科学院上海药物研究所 2019-09-17 CN claimed
CN-110240605-A The preparation method of qinghaosu dimer 中国科学院上海药物研究所 2019-09-17 CN disclosed
CN-107573445-A Polymer backbone element tags 富鲁达加拿大公司 2018-01-12 CN disclosed
CN-101495867-B Polymer backbone element tag 富鲁达加拿大公司 2017-09-05 CN disclosed
CN-101312972-B Bicyclic cinnamide compound EISAI R&D MAN CO LTD 2012-06-20 CN disclosed
CN-100590068-C Method for preparing primary amine carbon nano tube UNIV TONGJI 2010-02-17 CN disclosed
CN-101448797-A Heterocyclic type cinnamamide derivative EISAI R&D MAN CO LTD (JP) 2009-06-03 CN disclosed
CN-100448444-C Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2009-01-07 CN disclosed
CN-101312972-A Bicyclic cinnamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN disclosed
CN-101177259-A Method for preparing primary amine carbon nano tube UNIV TONGJI (CN) 2008-05-14 CN disclosed
CN-1620292-A Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARM LTD (IE) 2005-05-25 CN disclosed
CN-1154647-C Imidazo 1, 5-naphthyridines and their use in eliciting cytokine biosynthesis 3M 2004-06-23 CN disclosed
CN-1284957-A Imidazonaphthyridines and their use in inducing cytokine biosynthesis MINNESOTA MINING & MFG (US) 2001-02-21 CN disclosed