SCHEMBL27985159

SCHEMBL27985159

NC(=O)NNc1ccncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
ALDH1A1 P00352 2/20 0.45
P2RX7 Q99572 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
EPHX2 P34913 1/20 0.40
HSP90AA1 P07900 1/20 0.38
ATR Q13535 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
NTRK1 P04629 1/20 0.35
NAMPT P43490 1/20 0.35

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
Hydrochloric Acid SCHEMBL28116627 0.98 MKNK1 (0.44) MKNK1ALDH1A1P2RX7CHRNB2CHRNB4
SCHEMBL27892860 0.83 CHRNB2 (0.45) MKNK1ALDH1A1P2RX7CHRNB2CHRNB4
SCHEMBL31579540 0.81 CHRNB2 (0.50) MKNK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL5262945 0.81 CHRNB2 (0.50) MKNK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL10383050 0.76 GAA (0.58) ALDH1A1P2RX7GAAMAPT
SCHEMBL27711537 0.74 GAA (0.46) MKNK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL27784408 0.74 GAA (0.56) ALDH1A1P2RX7GAAMAPTNAMPT
SCHEMBL4466178 0.73 P2RX7 (0.47) MKNK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL25289694 0.73 HDAC1 (0.53) ALDH1A1GAACYP3A4CYP2C9
SCHEMBL9004626 0.72 CTSD (0.54) ALDH1A1GAACA1CA9JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115505292-A UV frosted ink and preparation method thereof 浙江爱迪尔包装股份有限公司 2022-12-23 CN claimed
CN-104744471-B A kind of method preparing high-purity theophylline 合肥平光制药有限公司 2016-09-14 CN claimed
CN-104109216-B Many hydrogen bonds melamine nucleocapsid molecularly imprinted polymer and preparation method thereof SHANDONG UNIVERSITY (CN) 2016-05-11 CN claimed
CN-104237333-B A kind of many hydrogen bonds electrochemical sensor and preparation method thereof and the application in melamine detects SHANDONG UNIVERSITY (CN) 2016-05-11 CN claimed
CN-104237333-A Multi-hydrogen bond electrochemical sensor, preparation method of sensor and application of sensor to melamine detection UNIV SHANDONG 2014-12-24 CN claimed
CN-102319248-A A kind of targeting is in the anti-hepatocarcinoma micromolecular compound of mir-122 SHANGHAI CLUSTER BIOTECH CO LTD 2012-01-18 CN claimed
CN-102319247-A Mir-26a-targeted anti-osteosarcoma small molecular compound SHANGHAI CLUSTER BIOTECH CO LTD 2012-01-18 CN claimed
CN-115505292-A UV frosted ink and preparation method thereof 浙江爱迪尔包装股份有限公司 2022-12-23 CN disclosed
CN-115505292-A UV frosted ink and preparation method thereof 浙江爱迪尔包装股份有限公司 2022-12-23 CN disclosed
CN-110981816-B Synthesis method of 4-amino-2, 6-dimethoxypyrimidine 天和药业股份有限公司 2022-07-05 CN disclosed
CN-109293582-B Preparation method for synthesizing 4-amino-2, 6-dimethoxypyrimidine 江苏天和制药有限公司 2020-07-31 CN disclosed
CN-107987205-B Preparation method of special resin for supermolecule quadruple hydrogen bond UPy unit modified polyvinyl chloride 新疆工程学院 2020-05-08 CN disclosed
CN-110981816-A Synthesis method of 4-amino-2, 6-dimethoxypyrimidine 扬州天和药业有限公司 2020-04-10 CN disclosed
CN-104109216-B Many hydrogen bonds melamine nucleocapsid molecularly imprinted polymer and preparation method thereof SHANDONG UNIVERSITY (CN) 2016-05-11 CN disclosed
CN-104109216-B Many hydrogen bonds melamine nucleocapsid molecularly imprinted polymer and preparation method thereof SHANDONG UNIVERSITY (CN) 2016-05-11 CN disclosed
CN-104237333-B A kind of many hydrogen bonds electrochemical sensor and preparation method thereof and the application in melamine detects SHANDONG UNIVERSITY (CN) 2016-05-11 CN disclosed
CN-104237333-A Multi-hydrogen bond electrochemical sensor, preparation method of sensor and application of sensor to melamine detection UNIV SHANDONG 2014-12-24 CN disclosed
CN-104237333-A Multi-hydrogen bond electrochemical sensor, preparation method of sensor and application of sensor to melamine detection UNIV SHANDONG 2014-12-24 CN disclosed
CN-102319248-A A kind of targeting is in the anti-hepatocarcinoma micromolecular compound of mir-122 SHANGHAI CLUSTER BIOTECH CO LTD 2012-01-18 CN disclosed
CN-102319247-A Mir-26a-targeted anti-osteosarcoma small molecular compound SHANGHAI CLUSTER BIOTECH CO LTD 2012-01-18 CN disclosed