SCHEMBL2453532

SCHEMBL2453532

COc1ccc(Sc2cc(Oc3cccc(C#N)c3C#N)cc(Cl)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
AR P10275 8/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BCL2 P10415 1/20 0.35
MAOB P27338 1/20 0.35
NPBWR1 P48145 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL2453342 0.89 AR (0.40) POLBGAAMAPTKDM4ELMNA
SCHEMBL2453539 0.82 POLB (0.45) POLBGAAMAPTKDM4ELMNA
SCHEMBL2457491 0.81 SMN1; SMN2 (0.41) POLBGAAMAPTKDM4ELMNA
SCHEMBL2460050 0.80 MAPT (0.45) POLBGAAMAPTKDM4ELMNA
SCHEMBL2453338 0.77 MAPT (0.41) POLBGAAMAPTKDM4ELMNA
SCHEMBL8975487 0.76 POLB (0.73) POLBGAAMAPTKDM4ELMNA
SCHEMBL2455106 0.76 KDM4E (0.39) POLBGAAMAPTKDM4ECYP3A4
SCHEMBL10999594 0.72 MAPT (0.47) POLBGAAMAPTKDM4ELMNA
SCHEMBL27603931 0.71 POLB (0.42) POLBGAAMAPTKDM4ELMNA
SCHEMBL2456873 0.70 KDM4E (0.39) POLBGAAMAPTKDM4ECYP3A4

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-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed