SCHEMBL2453587

SCHEMBL2453587

N#Cc1c(F)c(F)c(Nc2ccc(F)cc2)c(F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
MAPT P10636 6/20 0.43
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CDC7 O00311 1/20 0.36
IDO1 P14902 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 4/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL2458090 0.86 MEN1 (0.47) DHODHMAPTADORA1ALDH1A1HPGD
SCHEMBL7868431 0.86 MAPT (0.44) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL3963873 0.85 ADORA1 (0.44) MAPTADORA2BADORA1ALDH1A1HPGD
SCHEMBL7712954 0.83 DHODH (0.41) DHODHMAPTADORA2BADORA1ALDH1A1
SCHEMBL2460760 0.82 HTT (0.49) MAPTADORA2BALDH1A1HPGDKMT2A
SCHEMBL21669562 0.80 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AALOX12
SCHEMBL2454986 0.78 DHODH (0.49) DHODHMAPTADORA1ALDH1A1HPGD
SCHEMBL2455711 0.77 ADORA1 (0.46) MAPTADORA2BADORA1ALDH1A1HPGD
SCHEMBL14325880 0.76 AURKA (0.42) DHODHMAPTADORA1ALDH1A1HPGD
SCHEMBL14318539 0.74 MAPT (0.43) DHODHMAPTALDH1A1MEN1KMT2A

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 7 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
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