SCHEMBL8925008

SCHEMBL8925008

NC12C=CC=CC1CN(c1cc3c(cc1F)c(=O)c(C(=O)OC(=O)c1cn(C4CC4F)c4cc(F)c(F)cc4c1=O)cn3C1CC1F)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
TOP2A P11388 1/20 0.36
CYP2C9 P11712 1/20 0.36
TOP2B Q02880 1/20 0.36
MAPT P10636 1/20 0.35
TOP1 P11387 1/20 0.33
PIK3CG P48736 7/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CD O00329 5/20 0.32
PIK3R1 P27986 5/20 0.32
PIK3CA P42336 5/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8925004 0.92 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8925001 0.92 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8322831 0.86 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8922460 0.85 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8921121 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8923203 0.83 KMT2A (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8920655 0.83 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8323756 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8922450 0.76 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8921114 0.76 DRD3 (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA

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