SCHEMBL29495273

SCHEMBL29495273

O=[N+]([O-])c1cnc(-n2ccnc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.45
GRIA2 P42262 5/20 0.45
GRIA3 P42263 5/20 0.45
GRIA4 P48058 5/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
GRIK3 Q13003 1/20 0.45
GRIK4 Q16099 1/20 0.45
GRIK5 Q16478 1/20 0.45
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP19A1 P11511 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL29495251 0.83 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495188 0.83 MAPT (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL20536197 0.75 CYP19A1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495238 0.73 MAPT (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL29495255 0.72 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL30753605 0.72 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4876756 0.72 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1237406 0.70 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL25822704 0.70 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL10680326 0.69 GRIA1 (0.67) 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