SCHEMBL29119403

SCHEMBL29119403

CCN1CCc2cc(N)c([N+](=O)[O-])cc2CC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.39
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 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
SCHEMBL2061774 0.82 GAA (0.50) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119488 0.82 ALDH1A1 (0.44) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119482 0.78 MAPT (0.55) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119509 0.78 TP53 (0.42) MAPTALDH1A1KMT2ALMNAKDM4E
SCHEMBL2060527 0.77 GAA (0.54) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL29119474 0.77 PNMT (0.43) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2247039 0.73 MAPT (0.50) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29860127 0.73 ATAD2 (0.49) MAPTALDH1A1KMT2ALMNAKDM4E
SCHEMBL29119500 0.73 ATAD2 (0.49) MAPTALDH1A1KMT2ALMNAKDM4E
SCHEMBL2244562 0.73 MAPT (0.42) MAPTSIRT6ALDH1A1MEN1KMT2A

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-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed