SCHEMBL11501196

SCHEMBL11501196

C=COc1nc(CCCCC)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
THRB P10828 6/20 0.34
THRA P10827 5/20 0.34
PDPK1 O15530 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 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
SCHEMBL27553263 0.80 KCNH2 (0.43) KCNH2THRBPDPK1GPR84
SCHEMBL14977634 0.79 KCNH2 (0.42) KCNH2PDPK1
SCHEMBL7601917 0.75 KCNH2 (0.39) KCNH2PDPK1
SCHEMBL18857271 0.74 KCNH2 (0.44) KCNH2THRBTHRAMEN1KMT2A
SCHEMBL28331952 0.74 KCNH2 (0.44) KCNH2THRBTHRAMEN1KMT2A
Bromide SCHEMBL28945697 0.73 KCNH2 (0.43) KCNH2THRBTHRAMEN1KMT2A
Bromide SCHEMBL28554893 0.73 KCNH2 (0.43) KCNH2THRBTHRAMEN1KMT2A
SCHEMBL9821484 0.73 KCNH2 (0.40) KCNH2THRBTHRAMEN1KMT2A
Bromide SCHEMBL31146830 0.73 KCNH2 (0.43) KCNH2THRBTHRAMEN1KMT2A
Hydrochloric Acid SCHEMBL31146833 0.73 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4210657-A FUNGICIDES, BACTERICIDES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-07-01 US disclosed