SCHEMBL4066546

SCHEMBL4066546

c1ccc(CN=C(NCc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.56
▸ GRIN3B O60391 2/20 0.56
▸ GRIN1 Q05586 2/20 0.56
▸ GRIN2A Q12879 2/20 0.56
▸ GRIN2B Q13224 2/20 0.56
▸ GRIN2C Q14957 2/20 0.56
▸ GRIN3A Q8TCU5 2/20 0.56
▸ SIGMAR1 Q99720 2/20 0.56
▸ ALOX12 P18054 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL1795008 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5232108 0.88 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5267249 0.87 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6313280 0.83 GAA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5232106 0.79 GRIN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5267245 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5267252 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7158359 0.77 GRIN1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16443508 0.74 GRIN2B (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3190624 0.72 ALDH1A1 (0.69) ALOX12ALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104497298-B Method for preparing polyether polyol with low degree of unsaturation, high molecular weight and high activity 江苏长华聚氨酯科技有限公司 2017-02-22 — — CN disclosed
CN-104497046-B Organic alkoxide and preparation method thereof 江苏长顺高分子材料研究院有限公司 2016-08-24 — — CN disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 — — EP disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 — — EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 — — EP disclosed
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 — — EP disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 — — EP disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 — — EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 — — EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 — — EP disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP disclosed
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