SCHEMBL21299732

SCHEMBL21299732

CC(C)(C)c1cccc(C2=NCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
PTAFR P25105 1/20 0.40
KCNN4 O15554 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRD1 P41143 3/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9957948 0.84 NOTUM (0.45) PTAFR
SCHEMBL105809 0.82 NPC1 (0.41) KCNN4SMN1; SMN2
SCHEMBL1660986 0.80 HTR1D (0.46) KIF11SMN1; SMN2
SCHEMBL20410845 0.79 NPC1 (0.39) KCNN4SMN1; SMN2
SCHEMBL1338566 0.78 NISCH (0.47) SMN1; SMN2
SCHEMBL22662267 0.78 ADRA2A (0.32) KCNN4
SCHEMBL27260114 0.76 NISCH (0.46) KCNN4HDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL10520530 0.76 KCNH2 (0.38) SMN1; SMN2
Carbimide SCHEMBL29055881 0.76 NPC1 (0.37) KCNN4SMN1; SMN2
SCHEMBL23054974 0.75 KCNH2 (0.37)

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
EP-3530678-B1 GRAFTED POLYMER WITH SOOT HANDLING PROPERTIES AFTON CHEMICAL CORP (US) 2021-08-18 EP disclosed
EP-3530678-A1 GRAFTED POLYMER WITH SOOT HANDLING PROPERTIES Afton Chemical Corporation (US) 2019-08-28 EP disclosed