SCHEMBL7866699

SCHEMBL7866699

N#Cc1c(F)c(F)c(Nc2ccccc2F)c(F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.38
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 5/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CXCL8 P10145 1/20 0.35
TP53 P04637 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CXCR2 P25025 1/20 0.33
STK4 Q13043 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL7873558 0.83 MAPK1 (0.47) KDM4EALDH1A1GAACXCR2MEN1
SCHEMBL7870059 0.83 MEN1 (0.50) CYP1A2HIF1AKDM4EMAPK10ALDH1A1
SCHEMBL3963873 0.79 ADORA1 (0.44) KDM4ESMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL2455089 0.78 RAPGEF4 (0.49) CYP1A2HIF1AKDM4ESMN1; SMN2RAB9A
SCHEMBL14318564 0.76 ALDH1A1 (0.43) KDM4EMAPK10SMN1; SMN2TP53ALDH1A1
SCHEMBL7866666 0.74 TRPV4 (0.38) MAOAMAOB
SCHEMBL6055529 0.73 KDM4E (0.49) MELKCYP1A2HIF1AKDM4EADORA2A
SCHEMBL7869295 0.72 NRP1 (0.39) CYP1A2KDM4ESMN1; SMN2ALDH1A1CXCR2
SCHEMBL7870086 0.72 SRC (0.37) CYP1A2HIF1AKDM4EALDH1A1GAA
SCHEMBL2453587 0.71 DHODH (0.46) KDM4ESMN1; SMN2RAB9ANPC1ADORA2B

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