SCHEMBL3170144

SCHEMBL3170144

CC(=NOS(=O)(=O)c1ccc(C)cc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
EGFR P00533 1/20 0.52
PTGS2 P35354 1/20 0.52
LMNA P02545 6/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 2/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
MPI P34949 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3170137 1.00 KDM4E (0.57) KDM4EKMT2AMEN1EGFRPTGS2
SCHEMBL212207 0.89 KDM4E (0.71) KDM4EKMT2AMEN1PTGS2LMNA
SCHEMBL7296406 0.83 MAPT (0.53) KDM4EKMT2AMEN1PTGS2MAPT
SCHEMBL7296409 0.83 MAPT (0.53) KDM4EKMT2AMEN1PTGS2MAPT
SCHEMBL31565026 0.83 LMNA (0.46) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL92088 0.83 LMNA (0.46) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL14395714 0.83 PTGS2 (0.44) KDM4EKMT2AMEN1EGFRPTGS2
SCHEMBL11000571 0.83 KDM4E (0.53) KDM4EKMT2AMEN1EGFRPTGS2
SCHEMBL27641132 0.82 KDM4E (0.51) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL10924757 0.80 KDM4E (0.56) KDM4EKMT2AMEN1EGFRPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095035-B1 METHOD FOR PREPARING 4-(3-PYRIDINYL)-1H-IMIDAZOLE AND THE INTERMEDIATES USED AVENTIS PHARMA SA (FR) 2010-03-17 EP claimed
US-6353108-B1 1-(3-PYRIDINYL)-ETHANONE O-((4-METHYLPHENYL) SULPHONYL) OXIME FORMS 3-(2H-AZIRIN-3-YL)-PYRIDINE WHICH IS REACTED WITH ACID AND ALCOHOL TO OBTAIN THE 2,2-DIMETHOXY-2-(3-PYRIDINYL) ETHYL-AMINE WHICH IS REACTED WITH AN AMIDE AND CYCLIZED; INTERMEDIATES ARE NOT ISOLATED AVENTIS PHARMA S.A. (FR) 2002-03-05 US claimed
US-6353108-B1 1-(3-PYRIDINYL)-ETHANONE O-((4-METHYLPHENYL) SULPHONYL) OXIME FORMS 3-(2H-AZIRIN-3-YL)-PYRIDINE WHICH IS REACTED WITH ACID AND ALCOHOL TO OBTAIN THE 2,2-DIMETHOXY-2-(3-PYRIDINYL) ETHYL-AMINE WHICH IS REACTED WITH AN AMIDE AND CYCLIZED; INTERMEDIATES ARE NOT ISOLATED AVENTIS PHARMA S.A. (FR) 2002-03-05 US disclosed