SCHEMBL29338138

SCHEMBL29338138

NCC(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.53
MMP1 P03956 7/20 0.53
MMP2 P08253 7/20 0.53
MMP8 P22894 6/20 0.53
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX7 Q99572 1/20 0.48
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL4858952 0.85 MMP9 (0.53) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL8090956 0.85 MMP9 (0.53) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL1273790 0.85 MMP9 (0.53) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL14224779 0.85 MMP9 (0.56) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL1177439 0.85 MMP9 (0.53) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL23343881 0.85 MMP9 (0.56) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL8349338 0.85 MMP9 (0.48) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL31034502 0.83 NAMPT (0.51) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL18403452 0.83 NAMPT (0.51) MMP9MMP1MMP2MMP8NAMPT
SCHEMBL4861084 0.82 MMP9 (0.51) MMP9MMP1MMP2MMP8NAMPT

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed