SCHEMBL28565963

SCHEMBL28565963

O=C(O)N1CCC(OCCCCCc2ccc3ncccc3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE10A Q9Y233 3/20 0.35
ITGAV P06756 3/20 0.35
ITGB6 P18564 3/20 0.35
KMT2A Q03164 1/20 0.34
VNN1 O95497 1/20 0.34
NAMPT P43490 2/20 0.33
FAAH O00519 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL28334819 0.99 LMNA (0.36) LMNAMAPK1PDE10AITGAVITGB6
SCHEMBL28562358 0.99 LMNA (0.36) LMNAMAPK1PDE10AITGAVITGB6
SCHEMBL28558968 0.87 ITGAV (0.41) PDE10AITGAVITGB6
SCHEMBL28565965 0.86 ITGAV (0.43) LMNAMAPK1ITGAVITGB6KMT2A
SCHEMBL28912907 0.86 ITGAV (0.42) PDE10AITGAVITGB6
SCHEMBL28334820 0.85 ITGAV (0.44) LMNAMAPK1ITGAVITGB6KMT2A
SCHEMBL28566100 0.83 CYP2C9 (0.37) LMNAMAPK1KMT2AVNN1FAAH
SCHEMBL28568806 0.82 PIK3CD (0.35) LMNAMAPK1KMT2A
SCHEMBL28566103 0.77 KMT2A (0.39) LMNAMAPK1ITGAVITGB6KMT2A
SCHEMBL28562405 0.77 FAAH (0.37) LMNAPDE10AITGAVFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed