SCHEMBL9861627

SCHEMBL9861627

CCc1cc(CC)c(NC)c(C)c1NC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL23017583 0.85 HTT (0.39) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL28181649 0.76 KCNH2 (0.35) KCNH2SCN5ASMN1; SMN2
SCHEMBL9861529 0.75 SHBG (0.34) KCNH2SCN5ALMNAHPGDSMN1; SMN2
SCHEMBL728561 0.75 ALDH1A1 (0.34) SCN5AALDH1A1
SCHEMBL9861942 0.73 KCNH2 (0.33) KCNH2SCN5ALMNAHPGDSMN1; SMN2
SCHEMBL15169933 0.73 HPGD (0.42) LMNAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL725861 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL10344853 0.72 SELL (0.44) HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL20811095 0.71
SCHEMBL31603744 0.70 KCNH2 (0.32) KCNH2SCN5A

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
US-5041668-A Polyurethane Chain Extenders, Hardeners for Epoxy Resins ETHYL CORPORATION (US) 1991-08-20 US claimed
US-5041668-A Polyurethane Chain Extenders, Hardeners for Epoxy Resins ETHYL CORPORATION (US) 1991-08-20 US disclosed