SCHEMBL9299570

SCHEMBL9299570

O=[C]N(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
KMT2A Q03164 5/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 4/20 0.48
CA2 P00918 2/20 0.48
CA5A P35218 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 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
SCHEMBL9299671 0.81 KMT2A (0.49) KMT2AHTTGAAMEN1CA2
SCHEMBL894793 0.80 KMT2A (0.57) PKMKMT2AHTTGAAMEN1
SCHEMBL9299573 0.78 PKM (0.52) PKMKMT2AHTTGAAMEN1
SCHEMBL28456751 0.77 KDM4E (0.50) PKMKMT2AHTTGAAMEN1
SCHEMBL6553024 0.76 PKM (0.75) PKMKMT2AHTTMEN1ALDH1A1
SCHEMBL6534914 0.74 KMT2A (0.57) KMT2AHTTGAAMEN1CA2
SCHEMBL29596265 0.72 ALDH1A1 (0.69) PKMKMT2AHTTMEN1ALDH1A1
SCHEMBL12100862 0.72 ALDH1A1 (0.69) PKMKMT2AHTTMEN1ALDH1A1
SCHEMBL8605670 0.72 ALDH1A1 (0.69) PKMKMT2AHTTMEN1ALDH1A1
SCHEMBL5461742 0.71 LMNA (0.65) PKMKMT2AHTTGAAMEN1

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-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed