SCHEMBL8588646

SCHEMBL8588646

CC(C)(C)C(Cc1c(C(=O)O)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12)O[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
MAPT P10636 3/20 0.34
PLEC Q15149 1/20 0.34
PTPN1 P18031 1/20 0.34
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CDK5 Q00535 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDR P35968 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL6537960 0.85 SLC16A3 (0.38) SLC16A3HAVCR2MAPTPLECPTPN1
SCHEMBL6537507 0.79 SLC16A3 (0.36) SLC16A3ITGB1ITGA4MAPTCDK2
SCHEMBL6537961 0.79 SLC16A3 (0.41) SLC16A3HAVCR2MAPTPLECPTPN1
SCHEMBL6537735 0.78 SLC16A3 (0.47) SLC16A3HAVCR2MAPTPLECCDK2
SCHEMBL6537405 0.78 SLC16A3 (0.35) SLC16A3MAPTCDK2MEN1KMT2A
SCHEMBL8471309 0.77 KMT2A (0.34) SLC16A3ITGB1ITGA4MAPTMEN1
SCHEMBL6537542 0.77 PTGES (0.36) SLC16A3MEN1KMT2AJAK2JAK1
SCHEMBL6537654 0.77 KMT2A (0.35) SLC16A3MAPTMEN1KMT2AALDH1A1
SCHEMBL8588641 0.76 SLC16A3 (0.41) SLC16A3HAVCR2MAPTPLECPTPN1
SCHEMBL8476104 0.73 HAVCR2 (0.50) SLC16A3HAVCR2MAPTPLECMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed