SCHEMBL2456519

SCHEMBL2456519

N#Cc1c(Cl)c(Sc2ccccc2Cl)c(Sc2ccccc2Cl)c(Nc2ccccc2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ADORA2A P29274 5/20 0.34
ADORA1 P30542 3/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
MAP2K1 Q02750 1/20 0.33
CXCR2 P25025 2/20 0.32
ALDH1A1 P00352 1/20 0.32
AR P10275 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2453567 0.88 ADORA2A (0.38) ADORA2AADORA1TSHRHTTMAPT
SCHEMBL2451807 0.87 HSD11B1 (0.36) HSD11B1ADORA2AADORA1PTGS2TSHR
SCHEMBL2455604 0.85 MAOA (0.37) ADORA2AADORA1TSHRHTTMAPT
SCHEMBL2458100 0.85 HSD11B1 (0.36) HSD11B1ADORA2AADORA1PTGS2TSHR
SCHEMBL2460039 0.81 HPGD (0.40) HSD11B1PTGS2TSHRHTTMAPT
SCHEMBL28787333 0.77 AR (0.36) HSD11B1ADORA2AADORA1TSHRHTT
SCHEMBL2454586 0.77 PTGS2 (0.35) HSD11B1PTGS2MAPTALDH1A1AR
SCHEMBL2460048 0.77 ADORA2A (0.45) ADORA2AADORA1HTTMAPTALDH1A1
SCHEMBL2457569 0.76 ADORA2A (0.37) ADORA2AADORA1TSHRMAP2K1CXCR2
SCHEMBL3903067 0.74 ADORA2A (0.42) ADORA2AHTTMAPTRECQLMAP2K1

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