SCHEMBL1552392

SCHEMBL1552392

O=C(O)c1cccc(Nc2nc(Cl)nc(Nc3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.79
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
AURKA O14965 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NFKB1 P19838 2/20 0.54
MAP2K7 O14733 1/20 0.52
NSD2 O96028 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CDC25A P30304 1/20 0.52
CDC25B P30305 1/20 0.52
MCL1 Q07820 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ABL1 P00519 1/20 0.52

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
SCHEMBL4099966 0.97 RHOA (0.74) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL16546008 0.96 RHOA (0.73) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL30633056 0.92 RHOA (0.93) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL26135613 0.92 RHOA (0.93) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL1552643 0.89 RHOA (0.64) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL28238119 0.86 RHOA (0.82) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL27705134 0.85 RHOA (0.62) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL20511106 0.85 RHOA (0.61) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL14817396 0.84 RHOA (0.79) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL1552639 0.83 RHOA (0.54) RHOAMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947087-B2 Color transfer inhibitors, detergent compositions containing the same and uses therefor HENKEL AG & CO. KGAA (DE) 2011-05-24 US disclosed
EP-1994133-B1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
US-20090069210-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-03-12 US disclosed
EP-1994133-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2008-11-26 EP disclosed
WO-2007104392-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2007-09-20 WO disclosed