SCHEMBL6542102

SCHEMBL6542102

CN(NC=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C2 P08235 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RELA Q04206 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL11007463 0.80 ALDH1A1 (0.46) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL11001802 0.78 ALDH1A1 (0.42) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL24896257 0.77 NPC1 (0.37) HTTKMT2AALDH1A1MAPTTAAR1
SCHEMBL1833672 0.76 ALDH1A1 (0.42) HTTMEN1KMT2AALDH1A1ADH1B
SCHEMBL7574843 0.76 ALDH1A1 (0.42) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL27457464 0.73 ALDH1A1 (0.44) HTTMEN1KMT2AALDH1A1ADH1B
SCHEMBL28117845 0.73 ALDH1A1 (0.39) HTTMEN1KMT2AALDH1A1ADH1B
SCHEMBL27397672 0.72 ALDH1A1 (0.42) HTTMEN1KMT2AALDH1A1NR3C2
SCHEMBL28188925 0.71 ALDH1A1 (0.43) HTTMEN1KMT2AALDH1A1ADH1B
SCHEMBL677668 0.70 LMNA (0.46) HTTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171009-A2 Purification of tocopherols by extraction HENKEL CORPORATION (a Delaware corp.) (US) 1986-02-12 EP claimed
CN-105985302-B One kind 2,5- furans diformamide diamine compound, preparation method and application 中国科学院宁波材料技术与工程研究所 2019-06-07 CN disclosed
EP-3190110-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-12 EP disclosed
CN-105985302-A 2,5-furandicarboxamidediamine compound, and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2016-10-05 CN disclosed
US-6770428-B2 Photothermographic materials containing high iodide core-shell emulsions EASTMAN KODAK COMPANY 2004-08-03 US disclosed
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
EP-0137746-A2 Nitrogen substituted angiotensin converting enzyme inhibitors FISONS plc (GB) 1985-04-17 EP disclosed