SCHEMBL6537405

SCHEMBL6537405

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1c(CBr)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TYK2 P29597 2/20 0.33
POLB P06746 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PABPC1 P11940 1/20 0.32
EIF4H Q15056 1/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P4HTM Q9NXG6 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL6537507 0.93 SLC16A3 (0.36) SLC16A3TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6537542 0.91 PTGES (0.36) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL6537960 0.87 SLC16A3 (0.38) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL8471309 0.87 KMT2A (0.34) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL6537654 0.83 KMT2A (0.35) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL8588646 0.78 SLC16A3 (0.39) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL6537404 0.77 SLC16A3 (0.36) SLC16A3TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6537957 0.75 TYK2 (0.44) SLC16A3TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6537510 0.71 SLC16A3 (0.37) SLC16A3MEN1KMT2ATYK2POLB
SCHEMBL6537689 0.71 SLC16A3 (0.40) SLC16A3TMEM97SIGMAR1MEN1KMT2A

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-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed