SCHEMBL4442005

SCHEMBL4442005

COc1ccc(C)cc1NC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 1.00
MAPT P10636 8/20 1.00
MEN1 O00255 7/20 1.00
ALDH1A1 P00352 3/20 1.00
CASP3 P42574 2/20 0.82
SENP7 Q9BQF6 2/20 0.82
SENP6 Q9GZR1 1/20 0.82
TP53 P04637 3/20 0.77
MAPK1 P28482 2/20 0.77
GAA P10253 1/20 0.77
LMNA P02545 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.68
POLB P06746 2/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
CXCR2 P25025 1/20 0.62

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
SCHEMBL5853936 0.88 MEN1 (0.79) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL20436793 0.85 KMT2A (0.77) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL6441408 0.85 MAPT (0.76) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL3461022 0.84 MEN1 (0.72) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL20442305 0.84 KMT2A (0.72) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL16942617 0.83 KMT2A (0.74) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL2268197 0.83 MAPT (0.77) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL16441098 0.83 KMT2A (0.71) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL862532 0.82 TSHR (0.70) KMT2AMAPTMEN1ALDH1A1CASP3
SCHEMBL5464801 0.82 MAPT (0.68) KMT2AMAPTMEN1ALDH1A1CASP3

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
EP-2120911-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES Prosidion Limited (GB) 2009-11-25 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO disclosed