SCHEMBL2597790

SCHEMBL2597790

CC(C(=O)O)c1ccc(N)c(C(=O)N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.44
AKR1C2 P52895 11/20 0.44
PTGS2 P35354 8/20 0.42
PTGS1 P23219 7/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
FABP2 P12104 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11090811 0.83 KMT2A (0.53) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL27716564 0.78 MAPT (0.62) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL1002973 0.78 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2598053 0.77 KMT2A (0.45) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2598054 0.77 KMT2A (0.45) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL4129677 0.75 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL1708822 0.74 KMT2A (0.57) PTGS2MEN1KMT2AMAPTCYP2C9
SCHEMBL2597725 0.74 ALDH1A1 (0.41) TSHRMEN1KMT2AMAPTHPGD
SCHEMBL112764 0.73 AKR1C3 (0.59) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL10922696 0.73 PTGS1 (0.55) AKR1C3AKR1C2PTGS2PTGS1CYP1A2

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