SCHEMBL30409295

SCHEMBL30409295

Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
GAA P10253 1/20 0.73
MAPT P10636 8/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
NPC1 O15118 2/20 0.63
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.56
ALPL P05186 1/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.56
MDM2 Q00987 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL13187282 0.88 MEN1 (0.79) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL13561105 0.87 MAPT (0.76) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL11972772 0.86 MEN1 (0.90) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL11973019 0.84 KMT2A (0.70) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL8714517 0.84 MEN1 (0.70) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL29878066 0.84 MAPT (0.74) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL5216677 0.84 KCNQ3 (0.71) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL11973269 0.83 MEN1 (0.68) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL14516649 0.83 MAPT (0.67) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL13167267 0.82 KMT2A (0.67) MEN1KMT2AGAAMAPTRAB9A

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-116102525-B Benzamide derivatives and uses thereof 沈阳药科大学 2024-11-12 CN disclosed
CN-116102525-A Benzamide derivatives and uses thereof 沈阳药科大学 2023-05-12 CN disclosed