SCHEMBL2455415

SCHEMBL2455415

CCCCSc1c(F)c(C#N)c(C#N)c(Nc2ccccc2)c1SCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.36
ADORA2B P29275 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ADORA2A P29274 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KCNH3 Q9ULD8 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AR P10275 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
STAT6 P42226 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 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
SCHEMBL2456433 0.85 ALDH1A1 (0.35) ADORA1FNTAFNTBADORA2AALDH1A1
SCHEMBL7861736 0.80 MAPT (0.39) ALDH1A1NPSR1TSHRHTTKDM4E
SCHEMBL2454670 0.76 LTA4H (0.36) ALDH1A1NPSR1HTTKDM4EAR
SCHEMBL7866692 0.74 LTA4H (0.37) ALDH1A1NPSR1HTTKDM4EAR
SCHEMBL2453615 0.74 ADORA1 (0.37) ADORA1ADORA2BADORA2AALDH1A1NPSR1
SCHEMBL7870140 0.72 KDM4E (0.40) ADORA1ADORA2BFNTAFNTBADORA2A
SCHEMBL2455711 0.72 ADORA1 (0.46) ADORA1ADORA2BADORA2AALDH1A1NPSR1
SCHEMBL2453558 0.71 ADORA1 (0.37) ADORA1ADORA2BADORA2AALDH1A1NPSR1
SCHEMBL7873475 0.70 ADORA1 (0.38) ADORA1ADORA2BADORA2AALDH1A1NPSR1
SCHEMBL2451807 0.69 HSD11B1 (0.36) ADORA1ADORA2BADORA2AALDH1A1NPSR1

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