SCHEMBL29495255

SCHEMBL29495255

O=[N+]([O-])c1ccc(-n2ccnc2)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.43
GRIA2 P42262 4/20 0.43
GRIA3 P42263 4/20 0.43
GRIA4 P48058 4/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43
GRIK5 Q16478 1/20 0.43
MAPT P10636 4/20 0.41
CYP19A1 P11511 4/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 1/20 0.37
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL14543031 0.82 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495158 0.82 MAPT (0.44) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29990313 0.79 MAPT (0.41) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL20536197 0.73 CYP19A1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL25822704 0.73 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL2650687 0.72 MEN1 (0.41) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495273 0.72 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL40986 0.71 TDP1 (0.38) MAPTCYP19A1ALDH1A1KMT2AMAPK1
SCHEMBL29518366 0.71 TDP1 (0.38) MAPTCYP19A1ALDH1A1KMT2AMAPK1
SCHEMBL27807398 0.71 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed