SCHEMBL2458727

SCHEMBL2458727

COc1ccc(Sc2c(F)c(F)c(C#N)c(C#N)c2Nc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA2B P29275 2/20 0.45
MAPT P10636 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ADORA1 P30542 2/20 0.38
POLB P06746 2/20 0.38
KDM1A O60341 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3889951 0.93 ADORA2A (0.45) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL3901477 0.88 ADORA2A (0.42) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL2453558 0.88 ADORA1 (0.37) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL2460048 0.84 ADORA2A (0.45) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL27785102 0.81 ADORA2A (0.44) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL2453615 0.80 ADORA1 (0.37) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL3903067 0.79 ADORA2A (0.42) ADORA2AADORA2BMAPTKMT2APOLB
SCHEMBL2453537 0.79 LTA4H (0.41) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL7873475 0.79 ADORA1 (0.38) ADORA2AADORA2BMAPTKMT2AMEN1
SCHEMBL2452182 0.77 ADORA1 (0.35) ADORA2AADORA2BMAPTKMT2AMEN1

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