SCHEMBL2458103

SCHEMBL2458103

N#Cc1cccc(Nc2cc(F)c(F)c(Sc3ccccc3Cl)c2)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL2451810 0.90 HSD11B1 (0.34) HSD11B1LRRK2KDM4EHSD17B10TAS1R3
SCHEMBL2453559 0.85 KDM4E (0.39) LRRK2KDM4EALDH1A1GAATSHR
SCHEMBL2456522 0.84 HSD11B1 (0.35) HSD11B1LRRK2KDM4EHSD17B10ALDH1A1
SCHEMBL2453767 0.82 KDM4E (0.39) HSD11B1LRRK2KDM4EHSD17B10TAS1R3
SCHEMBL2457570 0.80 TAS1R3 (0.37) LRRK2KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL2452184 0.79 KDM4E (0.37) LRRK2KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL2458731 0.78 MAPT (0.39) LRRK2KDM4EALDH1A1GAAAR
SCHEMBL2453616 0.76 KDM4E (0.38) LRRK2KDM4EALDH1A1GAATSHR
SCHEMBL2453569 0.74 ALDH1A1 (0.34) KDM4EHSD17B10TAS1R3TAS1R1TAS1R2
SCHEMBL2453579 0.73 KDM4E (0.38) HSD11B1LRRK2KDM4EHSD17B10TAS1R3

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 2 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
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed