SCHEMBL7873576

SCHEMBL7873576

N#Cc1c(F)c(F)c(Oc2ccccc2F)c(F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 6/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A3 Q01959 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CXCL8 P10145 1/20 0.35
RHEB Q15382 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ERBB2 P04626 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
SCHEMBL7868377 0.83 MAPT (0.43) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL7861721 0.83 AR (0.43) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL16892543 0.81 KDM4E (0.59) MAPTKDM4ECRHBPCRHR2HTR1A
SCHEMBL7870167 0.81 AR (0.45) MAPTKDM4ECRHBPCRHR2ALDH1A1
SCHEMBL15257101 0.81 KDM4E (0.41) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL7106499 0.79 CA12 (0.49) MAPTKDM4ECRHBPCRHR2TSHR
SCHEMBL20560620 0.77 MAPT (0.36) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL7870109 0.77 AR (0.45) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL29581031 0.77 MAPT (0.36) MAPTKDM4ECRHBPCRHR2LMNA
SCHEMBL3619566 0.77 TRPV4 (0.31)

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-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed