SCHEMBL29119482

SCHEMBL29119482

CN1CCc2cc(N)c([N+](=O)[O-])cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SIRT6 Q8N6T7 2/20 0.55
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
MPI P34949 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2247039 0.94 MAPT (0.50) MAPTSIRT6HTR2AHTR2CHTR2B
SCHEMBL29119488 0.84 ALDH1A1 (0.44) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL1669119 0.82 MAPT (0.50) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL2248302 0.82 MAPT (0.50) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL722818 0.81 HPGD (0.44) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119439 0.81 DRD2 (0.43) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL2246168 0.80 MAPT (0.49) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL3964441 0.79 NOTUM (0.47) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119445 0.79 MAPT (0.43) MAPTSIRT6ALDH1A1MEN1KMT2A
SCHEMBL29119403 0.78 MAPT (0.39) 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