SCHEMBL27624959

SCHEMBL27624959

CN(C)CCNC(=O)c1ccc(C(=O)O)c2nc3ccccc3cc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 6/20 0.72
UHRF1 Q96T88 1/20 0.70
AOX1 Q06278 1/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.51
POLR1A O95602 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ECE1 P42892 1/20 0.51
MUS81 Q96NY9 1/20 0.51
MOK Q9UQ07 1/20 0.51
SMARCA2 P51531 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR2C P28335 1/20 0.46
CYP1A2 P05177 1/20 0.45
KCNH2 Q12809 1/20 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
SCHEMBL27874410 0.87 RAD52 (0.74) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL29369424 0.81 AOX1 (0.78) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL105276 0.81 AOX1 (0.78) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL634175 0.80 RAD52 (0.64) RAD52UHRF1AOX1HTTALDH1A1
Hydrochloric Acid SCHEMBL29608361 0.80 AOX1 (0.77) RAD52UHRF1AOX1HTTALDH1A1
Hydrochloric Acid SCHEMBL4888175 0.80 AOX1 (0.77) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL635319 0.79 RAD52 (0.63) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL7508011 0.79 RAD52 (0.58) RAD52UHRF1AOX1HTTALDH1A1
Hydrochloric Acid SCHEMBL5953779 0.79 AOX1 (0.75) RAD52UHRF1AOX1HTTALDH1A1
SCHEMBL10525047 0.78 RAD52 (0.69) RAD52UHRF1AOX1HTTALDH1A1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1736486-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-22 CN claimed
CN-1679952-A Anticarcinogenic medicine composition LANJIN BIOLOG ENGINEERING CO L (CN) 2005-10-12 CN claimed
CN-104788562-B Endothelial factor antibody 特雷康制药公司 2019-06-28 CN disclosed
CN-103694258-B For suppressing 1,3,4-thiadiazoles derivative of the spiral shell condensation of KSP kinesin activity SCHERING CORPORATION (US) 2016-01-13 CN disclosed
CN-102391222-B As the hydroxamic acid ester of therapeutical agent PHARMACYCLICS INC. (US) 2015-10-21 CN disclosed
CN-102711809-B Use anti-endoglin antibody and anti-VEGF agent therapeutic alliance cancer TRACON PHARMACEUTICALS, INC. (US) 2015-09-30 CN disclosed
CN-104788562-A Endoglin antibodies TRACON PHARMACEUTICALS INC 2015-07-22 CN disclosed
CN-102762227-B Endothelin antibodies TRACON PHARMACEUTICALS INC 2015-04-22 CN disclosed
CN-103694258-A Spiro-condensed 1, 3, 4-thiadiazole derivatives for inhibiting ksp kinesin activity SCHERING CORP 2014-04-02 CN disclosed
CN-101903365-B Spiro-condensed 1,3, 4-thiadiazole derivatives for inhibiting KSP kinesin activity MERCK SHARP & DOHME 2014-02-05 CN disclosed
CN-103420988-A Pyridinone and pyridazinone derivatives as inhibitors of poly(adp-ribose)polymerase (parp) ANGELETTI P IST RICHERCHE BIO 2013-12-04 CN disclosed
CN-1846679-A Sustained-release injection containing methotrexate and synergist thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN disclosed
CN-1846676-A Sustained-release injection containing fluorouracil synergist and preparation method thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN disclosed
CN-1846674-A Slow released anticancer injection JINAN SHUIHUA MEDICINE SCI TEC (CN) 2006-10-18 CN disclosed
CN-1839128-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2006-09-27 CN disclosed
CN-1829507-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2006-09-06 CN disclosed
CN-1795175-A Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARM INC (US) 2006-06-28 CN disclosed
CN-1768031-A hydroxamates as therapeutic agents AXYS PHARM INC (US) 2006-05-03 CN disclosed
CN-1736486-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-22 CN disclosed
CN-1679952-A Anticarcinogenic medicine composition LANJIN BIOLOG ENGINEERING CO L (CN) 2005-10-12 CN disclosed