SCHEMBL7861736

SCHEMBL7861736

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK8 P45983 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL10826614 0.84 MAPT (0.36) MAPTTDP1ARALDH1A1KDM4E
SCHEMBL2454814 0.83 AR (0.36) MAPTTDP1ARALDH1A1KDM4E
SCHEMBL2455415 0.80 ADORA1 (0.36) MAPTARALDH1A1KDM4EMEN1
SCHEMBL2454670 0.80 LTA4H (0.36) MAPTARALDH1A1KDM4EMEN1
SCHEMBL7861743 0.79 L3MBTL1 (0.34) ALDH1A1GAAHTTHPGDNPSR1
SCHEMBL7866692 0.78 LTA4H (0.37) MAPTARALDH1A1KDM4EMEN1
SCHEMBL2454368 0.75 SLC2A1 (0.37) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL10826577 0.72 CA12 (0.42) MAPTARALDH1A1KDM4EMEN1
SCHEMBL2454990 0.72 ADORA1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL10692695 0.71 USP2 (0.43) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed