SCHEMBL7870046

SCHEMBL7870046

N#Cc1c(F)c(Sc2c(Cl)cccc2Cl)c(Sc2c(Cl)cccc2Cl)c(F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
DYRK1A Q13627 2/20 0.34
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KCNQ1 P51787 1/20 0.33
CACNA1C Q13936 1/20 0.33
HSD11B1 P28845 3/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2454091 0.82 HSD11B1 (0.44) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL8174482 0.80 MEN1 (0.34) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7873574 0.78 AR (0.44) KDM4EALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL2453824 0.76 HSD11B1 (0.42) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL28715207 0.74 CYP1A2 (0.47) ALDH1A1CYP1A2MEN1KMT2ANPSR1
SCHEMBL7873517 0.74 MAOA (0.53) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7106251 0.73 MAOA (0.48) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7866675 0.73 ITGB2 (0.44) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL7861717 0.71 TRPV4 (0.39)
SCHEMBL7869298 0.70 PGR (0.44) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4

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