SCHEMBL8923203

SCHEMBL8923203

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(C(=O)OC(=O)c1cn(-c4ccc(F)cc4F)c4cc(F)c(F)cc4c1=O)cn3-c1ccc(F)cc1F)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
POLB P06746 2/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TOP1 P11387 2/20 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
SCHEMBL8923193 0.92 EPHA2 (0.47) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8321535 0.90 EPHA2 (0.49) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8321538 0.87 EPHA2 (0.39) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8926161 0.85 KCNH2 (0.34) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8921121 0.84 KDM4E (0.49) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL8922460 0.84 ALDH1A1 (0.35) KMT2AGSK3BLMNAMEN1KDM4E
SCHEMBL8925008 0.83 KDM4E (0.36) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL8920655 0.83 ALDH1A1 (0.36) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL8922855 0.78 KMT2A (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8320911 0.78 KCNH2 (0.41) KMT2AEPHA2FLT4GSK3BRARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed