SCHEMBL8575755

SCHEMBL8575755

CCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCC(ONC(=O)OC(C)(C)C)C3)c(F)cn2c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.33
SCN5A Q14524 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL8571984 0.91 SCN5A (0.39) KCNH2SCN5AALDH1A1GPR119SMN1; SMN2
SCHEMBL7509631 0.88 PIM1 (0.35)
SCHEMBL5284554 0.87 KCNH2 (0.37) KCNH2SCN5AALDH1A1HPGDKDM4E
SCHEMBL5284548 0.87 KCNH2 (0.37) KCNH2SCN5AALDH1A1HPGDKDM4E
SCHEMBL14497194 0.87 ACACB (0.37) ALDH1A1MEN1KMT2ATSHR
SCHEMBL7099200 0.85 RET (0.32) KCNH2SCN5A
SCHEMBL6803945 0.85 RET (0.32) KCNH2SCN5A
SCHEMBL6803943 0.85 RET (0.32) KCNH2SCN5A
SCHEMBL5570851 0.82 KCNH2 (0.36) KCNH2SCN5AALDH1A1HPGDKDM4E
SCHEMBL5570849 0.82 KCNH2 (0.36) KCNH2SCN5AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed