SCHEMBL8575966

SCHEMBL8575966

COC(=O)CCc1cn(-c2cccc(CC#N)c2)c(=O)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
FFAR1 O14842 2/20 0.36
TSHR P16473 1/20 0.36
NOS2 P35228 1/20 0.36
MMP3 P08254 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PIK3CG P48736 1/20 0.35
PTK2 Q05397 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TOP2A P11388 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
PLA2G4A P47712 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL8575548 0.81 CYP11B1 (0.46) CYP11B1CYP11B2TSHRKDM4EALDH1A1
SCHEMBL7280294 0.78 FFAR1 (0.42) FFAR1NOS2MMP3PIK3CGPTK2
SCHEMBL7274756 0.69 MAPT (0.43) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7272706 0.69 MAPT (0.43) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL8417181 0.67 CYP11B1 (0.40) CYP11B1CYP11B2TSHRKDM4EALDH1A1
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.65 TDP1 (0.66) CYP11B1CYP11B2FFAR1KDM4ECA12
SCHEMBL29237344 0.65 PIK3CG (0.41) MMP3PIK3CGPTK2ALDH1A1
SCHEMBL7275527 0.65 CYP11B1 (0.46) CYP11B1CYP11B2FFAR1KDM4EALDH1A1
SCHEMBL7281878 0.65 CYP11B1 (0.46) CYP11B1CYP11B2FFAR1KDM4EALDH1A1
SCHEMBL27304027 0.64 CYP11B1 (0.64) CYP11B1CYP11B2TSHRKDM4EALDH1A1

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed