SCHEMBL5561941

SCHEMBL5561941

CCc1c(CCOC(N)=O)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL14454008 0.91 CARM1 (0.33) MAPTCARM1PRMT6
SCHEMBL5556070 0.86 SIRT1 (0.34) MAPTCARM1PRMT6
SCHEMBL5559204 0.85 CARM1 (0.35) CARM1PRMT6
SCHEMBL5556126 0.85 CYP1A2 (0.31)
SCHEMBL5555486 0.84 CYP1A2 (0.33)
SCHEMBL5556274 0.83 CARM1 (0.39) MAPTCARM1PRMT6
SCHEMBL5560997 0.83 CYP1A2 (0.32)
SCHEMBL5556006 0.82 PTGDR2 (0.41) MAPTCARM1PRMT6
SCHEMBL5557512 0.82 PTGDR2 (0.33) MAPTCARM1PRMT6
SCHEMBL14453990 0.82 MAPK8 (0.35) CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed