SCHEMBL31596148

SCHEMBL31596148

C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ MAPT P10636 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ HTT P42858 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GLA P06280 1/20 0.53
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP2C19 P33261 2/20 0.47
▸ APEX1 P27695 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL11037350 0.84 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL31596187 0.83 TGM2 (0.59) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8462703 0.81 HTT (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL30725831 0.81 HTT (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18147758 0.79 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18147762 0.79 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL12512971 0.79 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3004695 0.78 HTT (0.69) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9836357 0.78 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7581412 0.77 SMN1; SMN2 (0.54) ALDH1A1MAPTMEN1KMT2AHTT

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-120058736-A FLT3 covalent inhibitor containing isoxazolo [5,4-b ] pyridine structure and preparation method and application thereof 南京中医药大学 2025-05-30 — — CN disclosed
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