SCHEMBL2455604

SCHEMBL2455604

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ADORA2A P29274 5/20 0.36
ADORA1 P30542 4/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR2 P25025 1/20 0.32
ADORA2B P29275 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL3903067 0.88 ADORA2A (0.42) ADORA2AHTTRECQLMAPTMAP2K1
SCHEMBL2460048 0.88 ADORA2A (0.45) ADORA2AADORA1HTTMAPTALDH1A1
SCHEMBL2452182 0.85 ADORA1 (0.35) MAOAMAOBADORA2AADORA1TSHR
SCHEMBL2456519 0.85 HSD11B1 (0.37) ADORA2AADORA1TSHRHTTRECQL
SCHEMBL2453615 0.83 ADORA1 (0.37) MAOAMAOBADORA2AADORA1TSHR
SCHEMBL2453567 0.81 ADORA2A (0.38) ADORA2AADORA1TSHRHTTRECQL
SCHEMBL2453558 0.80 ADORA1 (0.37) MAOAMAOBADORA2AADORA1TSHR
SCHEMBL3903063 0.80 POLB (0.40) MAPTALDH1A1NPSR1TDP1MEN1
SCHEMBL2456354 0.80 HPGD (0.42) MAOAMAOBTSHRHTTMAPT
SCHEMBL2454751 0.77 KDM4E (0.34) MAOAMAOBADORA2AADORA1NPSR1

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