SCHEMBL8675141

SCHEMBL8675141

C=CC(OS)c1nc(CCCCC)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
THRB P10828 5/20 0.33
THRA P10827 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL24688166 0.75 KCNH2 (0.43) KCNH2
SCHEMBL11501196 0.73 KCNH2 (0.42) KCNH2THRBTHRAMEN1KMT2A
SCHEMBL1436379 0.71 KCNH2 (0.43) KCNH2
SCHEMBL28226762 0.71 KCNH2 (0.43) KCNH2
SCHEMBL27935758 0.71 KCNH2 (0.43) KCNH2
SCHEMBL28331952 0.69 KCNH2 (0.44) KCNH2THRBTHRAMEN1KMT2A
SCHEMBL18857271 0.69 KCNH2 (0.44) KCNH2THRBTHRAMEN1KMT2A
SCHEMBL27553263 0.68 KCNH2 (0.43) KCNH2THRB
Hydrochloric Acid SCHEMBL31146835 0.68 KCNH2 (0.43) KCNH2THRBTHRAMEN1KMT2A
Hydrochloric Acid SCHEMBL31146833 0.68 KCNH2 (0.43) KCNH2THRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880364-A2 CONTRACEPTIVE RELEASE SYSTEMS WITH ANTIBACTERIAL AND/OR ANTIVIRAL EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-02 EP claimed
WO-1997028826-A2 CONTRACEPTIVE RELEASE SYSTEMS WITH ANTIBACTERIAL AND/OR ANTIVIRAL EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-14 WO claimed
EP-0880364-A2 CONTRACEPTIVE RELEASE SYSTEMS WITH ANTIBACTERIAL AND/OR ANTIVIRAL EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-02 EP disclosed
WO-1997028826-A2 CONTRACEPTIVE RELEASE SYSTEMS WITH ANTIBACTERIAL AND/OR ANTIVIRAL EFFECT SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-14 WO disclosed