SCHEMBL8560732

SCHEMBL8560732

Cc1ncc(Cn2c(NC3CCN(CCNC(N)=S)CC3)nc3ccccc32)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.46
NR4A2 P43354 1/20 0.46
SSTR5 P35346 5/20 0.46
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
EED O75530 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL9304716 0.88 KCNH2 (0.46) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL14173615 0.87 SSTR5 (0.51) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL9304456 0.87 KCNH2 (0.51) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL8562307 0.87 KCNH2 (0.48) KCNH2NR4A2SSTR5MEN1MLNR
Water SCHEMBL4983352 0.86 KCNH2 (0.51) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL9303798 0.86 KCNH2 (0.47) KCNH2NR4A2SSTR5MEN1MLNR
Hydrochloric Acid SCHEMBL4987342 0.85 KCNH2 (0.51) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL9303034 0.85 KCNH2 (0.40) KCNH2NR4A2SSTR5MEN1MLNR
SCHEMBL10506012 0.85 KCNH2 (0.49) KCNH2NR4A2SSTR5MEN1MLNR
Water SCHEMBL9302653 0.84 KCNH2 (0.43) KCNH2NR4A2SSTR5MEN1MLNR

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-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed