SCHEMBL28028429

SCHEMBL28028429

FNc1ncc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
MAP3K5 Q99683 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44
S1PR3 Q99500 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
ROCK1 Q13464 1/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ACVR1 Q04771 1/20 0.37
NCF1 P14598 2/20 0.36
NOS2 P35228 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
SCHEMBL6467426 0.83 MAP3K5 (0.54) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL28184943 0.79 FDPS (0.48) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL2264548 0.79 NCF1 (0.50) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL30961064 0.79 MAPT (0.46) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL41211 0.79 PCSK9 (0.48) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL4587589 0.79 FDPS (0.44) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL30824524 0.79 NCF1 (0.50) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL2338189 0.79 MAPT (0.46) FDPSMAP3K5PCSK9S1PR3KDM4E
SCHEMBL31381352 0.76 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2MAPT
SCHEMBL167891 0.76 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2MAPT

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-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
CN-103664787-B Alkynes heteroaromatic ring compounds and application thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-09 CN disclosed