SCHEMBL7603112

SCHEMBL7603112

COc1c(Cl)cccc1NC(=O)CC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 3/20 0.54
RAF1 P04049 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2013991 0.92 KMT2A (0.62) KMT2AMEN1ALDH1A1RAF1POLB
SCHEMBL13580638 0.89 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL7133200 0.86 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL31365394 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL17509893 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL2088329 0.81 RAF1 (0.53) KMT2AMEN1ALDH1A1RAF1KDM4E
SCHEMBL2088326 0.81 RAF1 (0.53) KMT2AMEN1ALDH1A1RAF1POLB
SCHEMBL12720508 0.81 MEN1 (0.80) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL2093882 0.81 RAF1 (0.53) KMT2AMEN1ALDH1A1RAF1POLB
SCHEMBL300285 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124904-B1 SOLID SOLUTIONS OF MONOAZO PIGMENTS CIBA SC HOLDING AG (CH) 2002-12-18 EP disclosed
US-6482257-B1 Solid solutions of monoazo pigments CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-19 US disclosed
EP-1124904-A1 SOLID SOLUTIONS OF MONOAZO PIGMENTS Ciba SC Holding AG (CH) 2001-08-22 EP disclosed
WO-2000026303-A1 SOLID SOLUTIONS OF MONOAZO PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed