SCHEMBL2456434

SCHEMBL2456434

CCCCSc1cc(Nc2cccc(C#N)c2C#N)cc(Cl)c1SCCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
STAT6 P42226 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
BCL6 P41182 1/20 0.32
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 3/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2456522 0.74 HSD11B1 (0.35) ARTSHRALDH1A1MAPTHPGD
SCHEMBL2453569 0.72 ALDH1A1 (0.34) ALDH1A1HPGDGAAKDM4EALOX15
SCHEMBL2460050 0.71 MAPT (0.45) ARALDH1A1MAPTHPGDGAA
SCHEMBL27613330 0.69 MEN1 (0.42) ARTSHRALDH1A1MAPTHPGD
SCHEMBL9644566 0.68 MEN1 (0.44) ARTSHRALDH1A1MAPTHPGD
SCHEMBL7713273 0.68 MEN1 (0.44) ARTSHRALDH1A1MAPTHPGD
SCHEMBL28524164 0.68 MEN1 (0.44) ARTSHRALDH1A1MAPTHPGD
SCHEMBL2451810 0.67 HSD11B1 (0.34) ARTSHRALDH1A1MAPTGAA
SCHEMBL2457570 0.66 TAS1R3 (0.37) ALDH1A1GAANPSR1KDM4EALOX15
SCHEMBL2458103 0.66 HSD11B1 (0.34) ARTSHRALDH1A1MAPTGAA

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