SCHEMBL2325577

SCHEMBL2325577

CN(C(=O)O)c1ccc2ccccc2c1-c1c(C(N)=O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.51
LDHA P00338 1/20 0.40
CFTR P13569 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2325146 0.82 WDR5 (0.41) WDR5KDM4EPOLBSMN1; SMN2NCEH1
SCHEMBL6748668 0.82 WDR5 (0.68) WDR5LDHAKDM4EPOLBSMN1; SMN2
SCHEMBL27927917 0.79 WDR5 (0.59) WDR5LDHAKDM4EPOLBSMN1; SMN2
SCHEMBL3196806 0.77 WDR5 (0.58) WDR5LDHAKDM4EPOLBSMN1; SMN2
SCHEMBL2328644 0.77 SLC22A12 (0.46) WDR5KDM4EPOLBSIGMAR1KMT2A
SCHEMBL28474429 0.75 WDR5 (0.44) WDR5KDM4ESMN1; SMN2NCEH1SIGMAR1
SCHEMBL2329249 0.73 WDR5 (0.56) WDR5LDHAKDM4ENCEH1KMT2A
SCHEMBL12441442 0.72 WDR5 (0.51) WDR5LDHAKDM4EPOLBSMN1; SMN2
SCHEMBL29876488 0.72 WDR5 (0.55) WDR5LDHAKDM4EPOLBSMN1; SMN2
SCHEMBL1614544 0.72 SIGMAR1 (0.67) SIGMAR1GAATDP1NR4A1NR4A2

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-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 WO disclosed