SCHEMBL28748657

SCHEMBL28748657

O=C=NNc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ APP P05067 1/20 0.48
▸ VCAM1 P19320 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KCNMA1 Q12791 3/20 0.46
▸ PKM P14618 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL7532418 0.79 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL28748710 0.76 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL28859083 0.75 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL27955187 0.75 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL1634259 0.75 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL1982270 0.75 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL10935716 0.73 ALDH1A1 (0.66) L3MBTL1ALDH1A1NPSR1MAPTTDP1
Hydrochloric Acid SCHEMBL1277707 0.73 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPSR1MAPTTDP1
Hydrochloric Acid SCHEMBL3721715 0.73 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL7479613 0.73 MAPK1 (0.46) L3MBTL1ALDH1A1MAPTTDP1POLB

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-110068616-B Normal phase chromatographic analysis method for 4-chlorine-2 nitrophenyl isocyanate and reaction liquid thereof 联化科技股份有限公司 2022-06-03 — — CN disclosed
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