SCHEMBL2453616

SCHEMBL2453616

N#Cc1cccc(Nc2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2453559 0.90 KDM4E (0.39) KDM4EMAPTHPGDALDH1A1ABCC9
SCHEMBL2452184 0.88 KDM4E (0.37) KDM4EMAPTHPGDALDH1A1ABCC9
SCHEMBL6218942 0.87 KDM4E (0.39) KDM4EMAPTHPGDALDH1A1MAOB
SCHEMBL2451810 0.84 HSD11B1 (0.34) KDM4EMAPTALDH1A1LRRK2PGR
SCHEMBL2455401 0.81 KDM4E (0.43) KDM4EMAPTHPGDALDH1A1ABCC9
SCHEMBL2457570 0.80 TAS1R3 (0.37) KDM4EALDH1A1LRRK2NPSR1GAA
SCHEMBL2458731 0.78 MAPT (0.39) KDM4EMAPTHPGDALDH1A1MAOB
SCHEMBL2454722 0.77 JAK1 (0.36) KDM4EMAPTHPGDALDH1A1MAOA
SCHEMBL2454724 0.76 AR (0.39) MAPTMAOAMAOBARMEN1
SCHEMBL2458103 0.76 HSD11B1 (0.34) KDM4EMAPTALDH1A1LRRK2PGR

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