SCHEMBL5562406

SCHEMBL5562406

CCc1c(CC(=O)NC)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.31
PTGS2 P35354 1/20 0.31
RECQL P46063 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
SCHEMBL5555837 0.90 PTGER4 (0.39) PTGDR2
SCHEMBL5561735 0.88 MAPT (0.37) CARM1PRMT6PTGDR2KCNJ6KCNJ5
SCHEMBL5556006 0.88 PTGDR2 (0.41) CARM1PRMT6PTGDR2MAPT
SCHEMBL5557512 0.88 PTGDR2 (0.33) CARM1PRMT6PTGDR2MAPT
SCHEMBL5556070 0.87 SIRT1 (0.34) CARM1PRMT6PTGDR2MAPT
SCHEMBL5561125 0.86 MEN1 (0.37) KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL5555856 0.85 MAPT (0.37) PTGDR2MAPTPTGS2RECQL
SCHEMBL14453992 0.83 MAPT (0.36) PTGDR2MAPT
SCHEMBL5560864 0.83 CYP1A2 (0.31) CARM1PRMT6MAPT
SCHEMBL5556124 0.83 EPAS1 (0.38) CARM1PRMT6PTGDR2MAPTP2RX7

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