SCHEMBL6974626

SCHEMBL6974626

Nc1c(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)c2c1c(=O)c(OC(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CACNA1F O60840 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1D Q01668 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
GSK3B P49841 2/20 0.33
HRH4 Q9H3N8 2/20 0.32
CYP3A4 P08684 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL6211264 0.91 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9411016 0.90 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6973407 0.88 KCNH2 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6973414 0.88 KCNH2 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6973421 0.88 KCNH2 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6983582 0.85 CACNA1F (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6983293 0.85 CACNA1F (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6984330 0.85 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9411085 0.83 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9411007 0.82 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1HPGD

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
EP-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP claimed