SCHEMBL2460050

SCHEMBL2460050

COc1ccc(Sc2cc(Nc3cccc(C#N)c3C#N)cc(Cl)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 5/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AR P10275 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BTK Q06187 1/20 0.35
BCL2 P10415 1/20 0.34
MAOB P27338 1/20 0.34
PTGIR P43119 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6218942 0.88 KDM4E (0.39) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2453338 0.83 MAPT (0.41) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2458731 0.83 MAPT (0.39) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2453532 0.80 POLB (0.44) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2456522 0.79 HSD11B1 (0.35) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2453569 0.77 ALDH1A1 (0.34) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2453616 0.75 KDM4E (0.38) MAPTGAAKDM4EHPGDLMNA
SCHEMBL2455263 0.74 AR (0.35) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2453472 0.74 MEN1 (0.36) MAPTGAAKDM4EPOLBHPGD
SCHEMBL2455264 0.73 SRC (0.42) MAPTGAAHPGDMEN1KMT2A

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