SCHEMBL28527405

SCHEMBL28527405

CCOC(=O)/C(=C/N(C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
GLO1 Q04760 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 3/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 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
SCHEMBL28521778 0.86 TSHR (0.37) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6339982 0.81 KMT2A (0.42) MAPTLMNANPSR1GLO1TDP1
SCHEMBL17193050 0.81 KMT2A (0.42) MAPTLMNANPSR1GLO1TDP1
SCHEMBL6339979 0.81 KMT2A (0.42) MAPTLMNANPSR1GLO1TDP1
SCHEMBL275028 0.81 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL275027 0.81 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL279188 0.81 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL9564470 0.81 POLB (0.43) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL13417554 0.79 MAPT (0.58) MAPTALDH1A1LMNAGLO1KDM4E
SCHEMBL3187242 0.79 MAPT (0.58) MAPTALDH1A1LMNAGLO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409332-B Triazole derivative and application thereof in medicines 广东东阳光药业股份有限公司 2023-12-08 CN disclosed
CN-112409332-A Triazole derivative and application thereof in medicines 广东东阳光药业有限公司 2021-02-26 CN disclosed