SCHEMBL8574368

SCHEMBL8574368

Cc1c(N2CCC(CNCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
KCNH2 Q12809 5/20 0.39
TOP1 P11387 4/20 0.35
FFAR4 Q5NUL3 2/20 0.33
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
Hydrochloric Acid SCHEMBL8572865 0.99 SCN5A (0.39) SCN5AKCNH2TOP1FFAR4PIM1
SCHEMBL8574325 0.92 KCNH2 (0.40) SCN5AKCNH2TOP1FFAR4
SCHEMBL8577656 0.92 KCNH2 (0.40) SCN5AKCNH2TOP1FFAR4
Hydrochloric Acid SCHEMBL7503660 0.91 KCNH2 (0.40) SCN5AKCNH2TOP1FFAR4
Hydrochloric Acid SCHEMBL7495496 0.91 KCNH2 (0.40) SCN5AKCNH2TOP1FFAR4
SCHEMBL8574285 0.91 SCN5A (0.41) SCN5AKCNH2TOP1
SCHEMBL8574291 0.91 SCN5A (0.41) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL7497986 0.90 SCN5A (0.40) SCN5AKCNH2TOP1
Hydrochloric Acid SCHEMBL7497989 0.90 SCN5A (0.40) SCN5AKCNH2TOP1
SCHEMBL5567931 0.89 KCNH2 (0.48) SCN5AKCNH2TOP1PIM1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed