SCHEMBL2452182

SCHEMBL2452182

N#Cc1c(F)c(Cl)c(Sc2ccccc2)c(Nc2ccccc2)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.35
ADORA2B P29275 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ADORA2A P29274 5/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G1B P04054 1/20 0.31

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
SCHEMBL2453615 0.88 ADORA1 (0.37) ADORA1ADORA2BMAOAMAOBADORA2A
SCHEMBL2453558 0.88 ADORA1 (0.37) ADORA1ADORA2BMAOAMAOBADORA2A
SCHEMBL2455604 0.85 MAOA (0.37) ADORA1ADORA2BMAOAMAOBADORA2A
SCHEMBL7873475 0.83 ADORA1 (0.38) ADORA1ADORA2BMAOAMAOBADORA2A
SCHEMBL2451807 0.77 HSD11B1 (0.36) ADORA1ADORA2BADORA2ATSHRHTT
SCHEMBL2458100 0.77 HSD11B1 (0.36) ADORA1ADORA2BADORA2ATSHRHTT
SCHEMBL3901477 0.77 ADORA2A (0.42) ADORA1ADORA2BADORA2AHTTRECQL
SCHEMBL2458727 0.77 ADORA2A (0.45) ADORA1ADORA2BADORA2AHTTMAPT
SCHEMBL3889951 0.77 ADORA2A (0.45) ADORA1ADORA2BADORA2AHTTMAPT
SCHEMBL14318540 0.76 ADORA1 (0.40) ADORA1ADORA2BADORA2ATSHRHTT

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