SCHEMBL29119445

SCHEMBL29119445

Nc1cc2c(cc1[N+](=O)[O-])CCN(C1CCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 8/20 0.40
SIRT6 Q8N6T7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP2D6 P10635 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL29119439 0.94 DRD2 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29119495 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29859595 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29859778 0.81 HRH3 (0.50) HRH3CYP2D6DRD2KCNH2
SCHEMBL29119482 0.79 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1669119 0.78 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2248302 0.78 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2246168 0.76 MAPT (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4764965 0.75 HRH3 (0.50) MAPTALDH1A1MEN1KMT2AHRH3
SCHEMBL29119459 0.74 DRD2 (0.54) MAPTALDH1A1MEN1KMT2AHRH3

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