SCHEMBL2453539

SCHEMBL2453539

COc1ccc(Sc2cc(Oc3cccc(C#N)c3C#N)cc(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
AR P10275 8/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
BCL2 P10415 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CXCR2 P25025 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

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
SCHEMBL2456873 0.89 KDM4E (0.39) POLBGAAARMAPTMEN1
SCHEMBL2453532 0.82 POLB (0.44) POLBGAAARMAPTMEN1
SCHEMBL2458731 0.79 MAPT (0.39) POLBGAAARMAPTMEN1
SCHEMBL2455106 0.79 KDM4E (0.39) POLBGAAARMAPTMEN1
SCHEMBL8975487 0.77 POLB (0.73) POLBGAAARMAPTMEN1
SCHEMBL21878986 0.71 SMN1; SMN2 (0.50) POLBGAAARMAPTMEN1
SCHEMBL22169453 0.71 POLB (0.57) POLBGAAARMAPTMEN1
SCHEMBL9359794 0.70 KDM4E (0.54) POLBGAAARMAPTMEN1
SCHEMBL2453342 0.70 AR (0.40) POLBGAAARMAPTMEN1
SCHEMBL6218942 0.70 KDM4E (0.39) POLBGAAARMAPTMEN1

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