SCHEMBL2453530

SCHEMBL2453530

COc1ccc(Sc2c(Cl)c(C#N)c(C#N)c(Oc3ccccc3)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
PTPN1 P18031 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
NPBWR1 P48145 2/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL2453341 0.90 MAOA (0.37) LTA4HMAPTMEN1KMT2AALDH1A1
SCHEMBL2453537 0.83 LTA4H (0.41) LTA4HMAPTMEN1KMT2AALDH1A1
SCHEMBL2460048 0.79 ADORA2A (0.45) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2457490 0.79 HSD11B1 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL27603943 0.77 POLB (0.47) LTA4HMAPTMEN1KMT2AALDH1A1
SCHEMBL3903067 0.76 ADORA2A (0.42) MAPTKMT2AALDH1A1NPSR1NPC1
SCHEMBL2453337 0.76 NPC1 (0.39) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2454556 0.74 ALDH1A1 (0.35) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2455103 0.74 MAOA (0.37) LTA4HMAPTMEN1KMT2AALDH1A1
SCHEMBL2453741 0.74 NPSR1 (0.40) MAPTMEN1KMT2AALDH1A1NPSR1

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