SCHEMBL8923193

SCHEMBL8923193

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1F)C2.O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 6/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TOP1 P11387 4/20 0.40

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
SCHEMBL8321535 0.98 EPHA2 (0.49) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8923203 0.92 KMT2A (0.40) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8321538 0.89 EPHA2 (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8320911 0.85 KCNH2 (0.41) EPHA2FLT4GSK3BRARBTBXAS1
Hydrochloric Acid SCHEMBL8922004 0.84 EPHA2 (0.65) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8922450 0.84 ALDH1A1 (0.42) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8921114 0.84 DRD3 (0.57) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8925004 0.83 ALDH1A1 (0.45) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8925001 0.83 ALDH1A1 (0.45) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8323756 0.82 KDM4E (0.58) LMNAALDH1A1KDM4EHPGDHSD17B10

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