SCHEMBL9299673

SCHEMBL9299673

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.45
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL9299573 0.81 PKM (0.52) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL2986907 0.80 ALDH1A1 (0.67) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL13716196 0.78 ALDH1A1 (0.54) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL4424908 0.77 LMNA (0.48) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL9299671 0.76 KMT2A (0.49) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL4432422 0.76 MEN1 (0.58) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL4430321 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL2997455 0.74 KMT2A (0.56) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL8514913 0.74 MAPT (0.46) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL30780918 0.73 TSHR (0.61) ALDH1A1LMNATSHRKMT2AMEN1

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