SCHEMBL9738873

SCHEMBL9738873

COC1=C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.35
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.33
RAF1 P04049 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9739629 0.90 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL10591266 0.88 MEN1 (0.32) ALDH1A1MAPK1KMT2AMEN1
SCHEMBL9738311 0.88 KMT2A (0.32) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL9738882 0.88 ELANE (0.33) ALDH1A1MAPK1KMT2AMEN1MAPT
SCHEMBL9739103 0.86 CA12 (0.38) ALDH1A1MAPK1KMT2AMEN1NPSR1
SCHEMBL9874689 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL9739114 0.76 HPD (0.38) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL9872626 0.73 SMN1; SMN2 (0.39) ALDH1A1LMNAMAPTHPGDNPC1
SCHEMBL9740555 0.73 AKR1C3 (0.45) ALDH1A1MAPK1KDM4EMAPTNPC1
SCHEMBL9738636 0.72 FLT1 (0.39) ALDH1A1MAPK1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed