SCHEMBL7870140

SCHEMBL7870140

CCCCOc1c(F)c(C#N)c(C#N)c(F)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RPS27 P42677 1/20 0.39
MAPK8 P45983 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.35
ADORA2B P29275 3/20 0.35

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
SCHEMBL7866685 0.77 LTA4H (0.51) HPGDMEN1KMT2AALDH1A1LTA4H
SCHEMBL2455711 0.77 ADORA1 (0.46) KDM4EGAAHPGDMEN1KMT2A
SCHEMBL7930657 0.76 ADAMTS5 (0.43) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL8162404 0.76 MAPT (0.36) KDM4EGAAHPGDMAPK8MEN1
SCHEMBL18159207 0.75 MAPT (0.38) KDM4EGAAHPGDMAPK8MEN1
SCHEMBL3963873 0.74 ADORA1 (0.44) KDM4EGAAHPGDMEN1KMT2A
SCHEMBL18159212 0.74 MAPT (0.37) KDM4EGAAHPGDMAPK8MEN1
SCHEMBL18159206 0.73 MAPT (0.36) KDM4EGAAHPGDMAPK8MEN1
SCHEMBL2455415 0.72 ADORA1 (0.36) KDM4EGAAHPGDRPS27MAPK8
SCHEMBL18159211 0.72 MAPT (0.38) KDM4EGAAHPGDMAPK8MEN1

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