SCHEMBL6601352

SCHEMBL6601352

O=C(O)c1cc(Nc2ccccc2)ccc1Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.66
AKR1C2 P52895 13/20 0.66
MAPT P10636 3/20 0.64
GFER P55789 2/20 0.64
NGLY1 Q96IV0 1/20 0.64
FABP4 P15090 1/20 0.62
CTSV O60911 1/20 0.62
CTSL P07711 1/20 0.62
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 2/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
AKR1C4 P17516 1/20 0.55

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
SCHEMBL8976069 0.86 AKR1C3 (0.72) AKR1C3AKR1C2MAPTGFERKDM4E
SCHEMBL28472949 0.85 AKR1C3 (0.64) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL31387882 0.85 AKR1C3 (0.66) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL7841736 0.85 FABP4 (0.85) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL8618268 0.85 CASP3 (0.53) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL351705 0.84 MAPT (0.79) AKR1C3AKR1C2MAPTGFERNGLY1
Fenamic Acid SCHEMBL3657701 0.82 FABP4 (0.89) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL9172301 0.82 MAPT (0.76) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL9537375 0.82 MPO (0.68) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL19626177 0.82 AKR1C3 (0.67) AKR1C3AKR1C2MAPTGFERNGLY1

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
EP-1353920-B1 PROCESS FOR PREPARING A SUBSTANTIALLY PURE GAMMA PHASE QUINACRIDONE PIGMENT OF LARGE PARTICLE SIZE SUN CHEMICAL CORP (US) 2004-08-25 EP disclosed
EP-1353920-A1 PROCESS FOR PREPARING A SUBSTANTIALLY PURE GAMMA PHASE QUINACRIDONE PIGMENT OF LARGE PARTICLE SIZE SUN CHEMICAL CORPORATION (US) 2003-10-22 EP disclosed
WO-2002050074-A1 PROCESS FOR PREPARING A SUBSTANTIALLY PURE GAMMA PHASE QUINACRIDONE PIGMENT OF LARGE PARTICLE SIZE SUN CHEMICAL CORPORATION (US) 2002-06-27 WO disclosed
US-20020073896-A1 PROCESS FOR PREPARING A SUBSTANTIALLY PURE GAMMA PHASE QUINACRIDONE PIGMENT OF LARGE PARTICLE SIZE DCL CORPORATION (BP), LLC (CA) 2002-06-20 US disclosed
US-6402829-B1 Process for preparing a substantially pure gamma phase quinacridone pigment of large particle size SUN CHEMICAL CORPORATION 2002-06-11 US disclosed