SCHEMBL8628058

SCHEMBL8628058

COC1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)CC1[AsH2]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.36
KCNH2 Q12809 6/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 2/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.30
CACNA1F O60840 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 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
SCHEMBL8566581 0.89 SCN5A (0.38) SCN5AKCNH2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7505370 0.88 SCN5A (0.37) SCN5AKCNH2MEN1KMT2AKDM4E
SCHEMBL8573305 0.84 MEN1 (0.46) SCN5AKCNH2MEN1KMT2AKDM4E
SCHEMBL8893562 0.84 MEN1 (0.46) SCN5AKCNH2MEN1KMT2AKDM4E
SCHEMBL8565386 0.84 SCN5A (0.41) SCN5AKCNH2KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL7499749 0.83 MEN1 (0.46) SCN5AKCNH2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8893843 0.83 MEN1 (0.46) SCN5AKCNH2MEN1KMT2AKDM4E
SCHEMBL6171594 0.83 SCN5A (0.37) SCN5AKCNH2KMT2AALDH1A1POLB
SCHEMBL6168656 0.83 SCN5A (0.37) SCN5AKCNH2KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL7501604 0.83 SCN5A (0.41) SCN5AKCNH2KMT2AALDH1A1POLB

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-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP claimed