SCHEMBL28827853

SCHEMBL28827853

Cc1nc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TNFSF10 P50591 1/20 0.50
▸ XDH P47989 1/20 0.50
▸ ABCB1 P08183 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29769219 0.86 XDH (0.58) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL9080021 0.84 TNFSF10 (0.45) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL10559120 0.83 MEN1 (0.62) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL26328841 0.81 XDH (0.54) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL13828967 0.80 TNFSF10 (0.50) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL22604036 0.78 MAPK1 (0.62) RAB9ANPC1KMT2AMEN1XDH
SCHEMBL28827856 0.78 TNFSF10 (0.58) ACHEHSD17B10RAB9ANPC1KMT2A
SCHEMBL4634221 0.77 XDH (0.63) ACHEHSD17B10RAB9ANPC1XDH
SCHEMBL1409329 0.77 NPC1 (0.50) RAB9ANPC1KMT2AMEN1TNFSF10
SCHEMBL9566556 0.77 MAPT (0.58) RAB9ANPC1KMT2AMEN1TNFSF10

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-115010673-B Method for synthesizing 1,3, 5-triazine compounds under visible light-induced metal-free catalysis condition 河南大学 2024-01-30 — — CN disclosed
CN-115010673-A Method for synthesizing 1,3,5-triazine compound under visible light induction and metal-free catalysis condition 河南大学 2022-09-06 — — CN disclosed
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