SCHEMBL2454063

SCHEMBL2454063

CCCCNc1c(C#N)c(C#N)c(F)c(Sc2cc(Cl)ccc2Cl)c1Sc1cc(Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ABL1 P00519 1/20 0.32
BCAT2 O15382 1/20 0.31
ACHE P22303 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
SCHEMBL2454857 0.89 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6PLA2G1BATM
SCHEMBL27603929 0.82 PLA2G1B (0.36) CYP1A2CYP3A4CYP2D6PLA2G1BATM
SCHEMBL2454939 0.81 MAP3K8 (0.36) PLA2G1BATMNPSR1ATG4BBCAT2
SCHEMBL2454355 0.78 SLC2A1 (0.33) CYP1A2CYP3A4
SCHEMBL2457569 0.77 ADORA2A (0.37) PLA2G1BATMNPSR1ATG4B
SCHEMBL2454586 0.76 PTGS2 (0.35) NPSR1
SCHEMBL27622970 0.75 UTS2R (0.35) CYP1A2CYP3A4CYP2D6PLA2G1BATM
SCHEMBL2455421 0.74 GAA (0.36) ATMNPSR1ACHE
SCHEMBL7866675 0.71 ITGB2 (0.44) CYP1A2CYP3A4CYP2D6ATMNPSR1
SCHEMBL2453843 0.70 HPGD (0.36) NPSR1BCAT2ACHE

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