SCHEMBL29495258

SCHEMBL29495258

COC(=O)c1cc(-n2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SIRT6 Q8N6T7 1/20 0.57
HTT P42858 1/20 0.56
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP3A4 P08684 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
CD38 P28907 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
ADH5 P11766 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL26865466 1.00 MAPT (0.61) MAPTSIRT6HTTCYP11B1CYP11B2
SCHEMBL26614095 0.90 MAPT (0.61) MAPTSIRT6HTTCYP11B1CYP11B2
SCHEMBL7470078 0.84 MAPT (0.46) MAPTHTTCYP11B1CYP11B2CYP3A4
SCHEMBL28722388 0.83 MAPT (0.59) MAPTSIRT6HTTMAPK8MAPK10
SCHEMBL7827654 0.83 SIRT6 (0.63) MAPTSIRT6TDP1LMNAKDM4E
SCHEMBL22028672 0.82 HTT (0.62) MAPTHTTCYP3A4BAZ2BLMNA
SCHEMBL1308214 0.80 TUBB4A (0.52) MAPT
SCHEMBL30684529 0.80 ALDH1A1 (0.56) MAPTSIRT6HTTCYP11B1CYP11B2
SCHEMBL29495196 0.80 HTT (0.62) MAPTHTTCYP11B1CYP11B2CYP3A4
SCHEMBL27480025 0.80 HTT (0.62) MAPTHTTCYP11B1CYP11B2CYP3A4

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-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 CN disclosed
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
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed