SCHEMBL29265304

SCHEMBL29265304

CN(C)c1ncnc(-c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ SCN2A Q99250 1/20 0.42
▸ KMO O15229 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT8 Q9NR22 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CXCR5 P32302 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 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
SCHEMBL30845454 1.00 MAPT (0.45) MAPTSCN2AKMOALDH1A1MEN1
SCHEMBL30845453 0.78 MAPT (0.71) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL29265301 0.78 MAPT (0.71) MAPTALDH1A1MEN1KMT2AEGFR
Ammonia Solution, Strong SCHEMBL29265306 0.71 SMN1; SMN2 (0.43) MAPTSCN2AALDH1A1MEN1KMT2A
SCHEMBL6235889 0.69 MAPT (0.50) MAPTSCN2A
SCHEMBL16068107 0.66 KMO (0.44) SCN2AKMOALDH1A1MEN1KMT2A
SCHEMBL28185546 0.66 SCN2A (0.44) MAPTSCN2AALDH1A1MEN1KMT2A
SCHEMBL14805351 0.65 LMNA (0.41) MAPTALDH1A1MEN1KMT2AHSP90AA1
SCHEMBL20049831 0.65 GRIN2B (0.49) SCN2AALDH1A1
SCHEMBL28307674 0.65 SCN2A (0.48) MAPTSCN2AALDH1A1HSP90AA1CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021833-A Intestinal metabolite regulator and medicine containing regulator 华南农业大学 2024-05-14 — — CN disclosed
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