SCHEMBL9802272

SCHEMBL9802272

O=COc1cccc2c1CC(c1ccccc1)C1=C2CNC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
KDM1A O60341 1/20 0.31
KIF11 P52732 1/20 0.30
HRH1 P35367 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
SCHEMBL7316031 0.81
Formic Acid SCHEMBL9802262 0.81 SLC6A2 (0.34) KIF11
Formic Acid SCHEMBL7316024 0.75 DRD1 (0.35) KDM4E
Hydrochloric Acid SCHEMBL7307142 0.72 ACHE (0.41) KDM4EKDM1A
SCHEMBL7445334 0.72 DRD1 (0.38) KDM4E
SCHEMBL9802226 0.67 KDM1A (0.32) KDM1A
SCHEMBL8829332 0.64 ACHE (0.40) KDM4E
SCHEMBL2865511 0.62 TDP1 (0.44) KDM4EHRH1
SCHEMBL7444629 0.62 DRD1 (0.39) KDM4E
SCHEMBL5951755 0.62 ACHE (0.69) KDM4E

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-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed