SCHEMBL2453567

SCHEMBL2453567

N#Cc1c(Cl)c(Sc2cc(Cl)ccc2Cl)c(Sc2cc(Cl)ccc2Cl)c(Nc2ccccc2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
IDO1 P14902 1/20 0.34
CXCR2 P25025 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
MAP2K1 Q02750 2/20 0.32
LDHA P00338 1/20 0.32
RHEB Q15382 1/20 0.32
ADORA1 P30542 2/20 0.32
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NOS2 P35228 1/20 0.31
ACHE P22303 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
SCHEMBL2457569 0.88 ADORA2A (0.37) ADORA2AIDO1CXCR2ALDH1A1HPGD
SCHEMBL2456519 0.88 HSD11B1 (0.37) ADORA2ACXCR2ALDH1A1MAP2K1ADORA1
SCHEMBL2453843 0.83 HPGD (0.36) ALDH1A1HPGDTSHRKDM4EACHE
SCHEMBL2455604 0.81 MAOA (0.37) ADORA2ACXCR2ALDH1A1FNTAFNTB
SCHEMBL27622769 0.80 ADORA2A (0.39) ADORA2ACXCR2ALDH1A1HPGDMAP2K1
SCHEMBL2451807 0.76 HSD11B1 (0.36) ADORA2ACXCR2ALDH1A1MAP2K1ADORA1
SCHEMBL2458100 0.73 HSD11B1 (0.36) ADORA2ACXCR2ALDH1A1MAP2K1ADORA1
SCHEMBL2460048 0.73 ADORA2A (0.45) ADORA2AALDH1A1HPGDADORA1KDM4E
SCHEMBL2454939 0.72 MAP3K8 (0.36) ALDH1A1HPGDMETTSHRKDM4E
SCHEMBL3903067 0.71 ADORA2A (0.42) ADORA2AALDH1A1HPGDMAP2K1KDR

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