SCHEMBL29133799

SCHEMBL29133799

NNc1cc2ccccc2nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
ACHE P22303 1/20 0.44
PDPK1 O15530 1/20 0.39
HTR3A P46098 1/20 0.38
NQO2 P16083 1/20 0.38
GAA P10253 3/20 0.38
GOT1 P17174 3/20 0.38
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 1/20 0.37
PTBP1 P26599 1/20 0.37
RCE1 Q9Y256 1/20 0.37
NCF1 P14598 1/20 0.36

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
SCHEMBL24783631 0.79 NCF1 (0.55) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL1998971 0.76 KDM4E (0.43) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL5272072 0.76 MAPT (0.50) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL12890445 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL1998972 0.75 KDM4E (0.42) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL3071109 0.71 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL2014209 0.71 KDM4E (0.50) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL5321887 0.71 SLC2A1 (0.44) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL5483645 0.70 ALDH1A1 (0.55) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL31115164 0.70 ALDH1A1 (0.55) KDM4EALDH1A1MAPTGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073625-B Reduced and oxidized polysaccharides and methods of use thereof 哈佛学院院长等 2024-01-16 CN disclosed
CN-117337190-A Folate receptor targeted conjugates, compositions and delivery to the central nervous system 普渡研究基金会 2024-01-02 CN disclosed
CN-110585420-B Medical application of CREG protein to protection of high-salt-induced kidney injury 中国人民解放军北部战区总医院 2023-07-21 CN disclosed