SCHEMBL30896367

SCHEMBL30896367

O=[N+]([O-])c1cc2cnn(C3CCOCC3)c2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.44
PDE4D Q08499 2/20 0.40
MAPK1 P28482 3/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE1C Q14123 6/20 0.36
PDE1A P54750 5/20 0.36
PDE1B Q01064 5/20 0.36
EZH2 Q15910 1/20 0.35
MAPT P10636 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PDE9A O76083 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
SCHEMBL30896414 0.93 PIK3CD (0.39) PIK3CDPDE4DMAPK1KMT2AL3MBTL1
SCHEMBL16898982 0.92 MAPT (0.38) PIK3CDMAPK1MAPT
SCHEMBL16899208 0.90 MAPT (0.37) PIK3CDMAPK1KMT2AMAPTPDE9A
SCHEMBL30896408 0.84 PIK3CD (0.39) PIK3CDPDE4DMAPK1PDE1CPDE1A
SCHEMBL30959605 0.82 RXRA (0.47) MAPK1KMT2AMAPT
SCHEMBL21797036 0.82 RXRA (0.47) MAPK1KMT2AMAPT
SCHEMBL27228529 0.77 RXRA (0.47) PIK3CDMAPK1KMT2AL3MBTL1MAPT
SCHEMBL30860939 0.77 RXRA (0.47) PIK3CDMAPK1KMT2AL3MBTL1MAPT
SCHEMBL30122245 0.76 PIK3CD (0.47) PIK3CDPDE4DMAPK1PDE1CPDE1A
SCHEMBL16898881 0.75 SLC18A3 (0.32) PIK3CDPDE4DMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 CN disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed