SCHEMBL2454586

SCHEMBL2454586

CCCCNc1c(C#N)c(C#N)c(Cl)c(Sc2ccccc2Cl)c1Sc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HSD11B1 P28845 1/20 0.34
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC2A1 P11166 1/20 0.32
PRMT1 Q99873 1/20 0.32
NR4A2 P43354 1/20 0.32
AR P10275 1/20 0.32
ALOX15 P16050 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
STAT6 P42226 1/20 0.30
KMT2A Q03164 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
SCHEMBL2454857 0.86 CYP1A2 (0.35) HPGDNPSR1
SCHEMBL2454751 0.86 KDM4E (0.34) KDM4ENPSR1L3MBTL1SLC2A1ALOX15
SCHEMBL2460039 0.81 HPGD (0.40) PTGS2HSD11B1KDM4EHPGDNPSR1
SCHEMBL27622773 0.79 NR4A2 (0.39) PTGS2HSD11B1CNR2KDM4EHPGD
SCHEMBL2453573 0.77 MAPT (0.38) KDM4EHPGDNPSR1ARMEN1
SCHEMBL2456519 0.77 HSD11B1 (0.37) PTGS2HSD11B1NPSR1ARMEN1
SCHEMBL2454063 0.76 CYP1A2 (0.34) NPSR1
SCHEMBL2454355 0.71 SLC2A1 (0.33) KDM4EHPGDL3MBTL1SLC2A1ALOX15
SCHEMBL2453843 0.70 HPGD (0.36) KDM4EHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL2453576 0.70 HSD11B1 (0.36) PTGS2HSD11B1KDM4EHPGDNPSR1

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 4 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
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed