SCHEMBL31094848

SCHEMBL31094848

Nc1ccc(C2=CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ POLB P06746 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BACE1 P56817 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25220823 0.81 MAPK14 (0.52) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL4772911 0.80 PDGFRB (0.44) MAPTTDP1POLBMEN1KMT2A
SCHEMBL9913556 0.79 MAPT (0.72) MAPTTDP1POLBMEN1KMT2A
SCHEMBL22832713 0.77 MAPK14 (0.50) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL17736221 0.77 TDP1 (0.60) MAPTTDP1POLBMEN1KMT2A
SCHEMBL31118563 0.76 MAPK14 (0.40) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5817998 0.75 TDP1 (0.57) MAPTTDP1POLBMEN1KMT2A
SCHEMBL14720958 0.75 BACE1 (0.42) ALDH1A1MAPK14BACE1IKBKETBK1
SCHEMBL23092185 0.75 BACE1 (0.42) MAPK14BACE1IKBKETBK1HTR1D
SCHEMBL23105031 0.75 BACE1 (0.42) BACE1IKBKETBK1HTR1D

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
WO-2024208228-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-10-10 — — WO disclosed
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