SCHEMBL28118844

SCHEMBL28118844

CCC(N=[N+]=[N-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
AOC3 Q16853 1/20 0.38
HKDC1 Q2TB90 1/20 0.35
TRPA1 O75762 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
PDE2A O00408 2/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13979646 0.85 MIF (0.41) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL14395402 0.85 MIF (0.41) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL21806661 0.84 L3MBTL1 (0.45) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL15995275 0.84 L3MBTL1 (0.45) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL16147765 0.82 TAAR1 (0.46) MIFNOS3NOS2L3MBTL1TAAR1
SCHEMBL15382016 0.82 NOS3 (0.41) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL18328149 0.82 MIF (0.39) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL15144137 0.82 L3MBTL1 (0.43) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL16864595 0.82 NOS3 (0.41) MIFNOS3NOS2LMNAL3MBTL1
SCHEMBL27924817 0.82 MIF (0.39) MIFNOS3NOS2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116747878-B Magnetic nano microsphere and preparation method and application thereof 中国农业大学 2023-12-05 CN disclosed
CN-116747878-A Magnetic nano microsphere and preparation method and application thereof 中国农业大学 2023-09-15 CN disclosed
CN-115867136-A One-step synthesis of soybean polyol 堪萨斯大豆委员会 2023-03-28 CN disclosed
CN-107759564-B Triazole pyridine formyl glycine compound, method and medical application thereof 中国药科大学 2020-05-22 CN disclosed
CN-107118168-B A kind of copper catalyzes and synthesizes Trifluoromethyl-1, the method for 2,4- triazineon compounds 福州大学 2019-10-15 CN disclosed
CN-106279189-B A kind of quinoline derivatives and preparation method thereof and application in preparation of anti-tumor drugs 中山大学 2019-02-12 CN disclosed
CN-106279189-A A kind of quinoline derivatives and preparation method thereof and the application in preparing antitumor drug 中山大学 2017-01-04 CN disclosed