SCHEMBL2598053

SCHEMBL2598053

CC(C(=O)O)c1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 12/20 0.43
AKR1C2 P52895 12/20 0.43
HTT P42858 1/20 0.43
HKDC1 Q2TB90 1/20 0.40
DTYMK P23919 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL2598054 1.00 KMT2A (0.45) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597772 0.87 KMT2A (0.46) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597771 0.87 KMT2A (0.46) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL7651884 0.81 SIRT6 (0.50) AKR1C3AKR1C2MAPTPTGS1PTGS2
SCHEMBL12185923 0.78 ALDH1A1 (0.48) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL2597745 0.78 AKR1C3 (0.58) KMT2AMEN1AKR1C3AKR1C2MAPT
SCHEMBL4142382 0.78 GRM8 (0.50) AKR1C3AKR1C2PTGS1PTGS2CDC42
SCHEMBL2597746 0.78 AKR1C3 (0.58) KMT2AMEN1AKR1C3AKR1C2MAPT
SCHEMBL5948033 0.77 AKR1C3 (0.59) KMT2AMEN1HPGDAKR1C3AKR1C2
SCHEMBL29231640 0.77 AKR1C3 (0.59) KMT2AMEN1HPGDAKR1C3AKR1C2

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
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed