SCHEMBL7873558

SCHEMBL7873558

N#Cc1c(F)c(F)c(Nc2ccccc2Cl)c(F)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
IDO1 P14902 2/20 0.42
SRC P12931 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BTK Q06187 1/20 0.37
TDO2 P48775 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
KMT2A Q03164 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL7866699 0.83 MELK (0.38) KDM4EMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL7870086 0.83 SRC (0.37) MAPK1KDM4EMAPTL3MBTL1CACNA1B
SCHEMBL7861719 0.81 MAP2K1 (0.49) MAPK1SRCTAS1R3TAS1R1TAS1R2
SCHEMBL7870059 0.81 MEN1 (0.50) KDM4EMAPTL3MBTL1TSHRHSD17B10
SCHEMBL3963873 0.76 ADORA1 (0.44) MAPK1KDM4EMAPTL3MBTL1TSHR
SCHEMBL2455089 0.75 RAPGEF4 (0.49) MAPK1KDM4EMAPTTSHRHSD17B10
SCHEMBL14318564 0.74 ALDH1A1 (0.43) MAPK1KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL7868431 0.73 MAPT (0.44) KDM4EMAPTTSHRIDO1SRC
SCHEMBL14325885 0.73 SRC (0.37) MAPK1KDM4EMAPTL3MBTL1CACNA1B
SCHEMBL14315656 0.72 SRC (0.36) MAPK1KDM4EMAPTL3MBTL1CACNA1B

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 3 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
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed