SCHEMBL18949789

SCHEMBL18949789

O=C(O)c1cccc(OCc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ HTT P42858 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ HPD P32754 4/20 0.47
▸ CTSV O60911 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
SCHEMBL2986814 0.83 HPD (0.57) ALDH1A1KMT2AMEN1FOLH1HPD
SCHEMBL5838506 0.82 TSHR (0.59) MAOBALDH1A1HTTTP53POLB
SCHEMBL21545836 0.81 KMT2A (0.59) MAOBALDH1A1HTTHTR1AADRA1D
SCHEMBL10789091 0.80 NPC1 (0.68) MAOBALDH1A1HTTHTR1AADRA1D
SCHEMBL7828058 0.77 GLA (0.50) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL5594953 0.77 MAOB (0.55) MAOBALDH1A1HTTHTR1AADRA1D
SCHEMBL31346758 0.77 ALDH1A1 (0.56) MAOBALDH1A1HTTPOLBL3MBTL1
SCHEMBL21545837 0.76 MAOB (0.54) MAOBALDH1A1HTTHTR1AADRA1D
SCHEMBL5839828 0.76 MRGPRX4 (0.55) ALDH1A1HTTTP53POLBSENP8
SCHEMBL5839687 0.76 ALDH1A1 (0.50) ALDH1A1HTTTP53POLBSENP8

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
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 — — US disclosed
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