SCHEMBL6823638

SCHEMBL6823638

O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
OPRK1 P41145 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL6823539 0.87 OPRK1 (0.73) MEN1KMT2AOPRK1L3MBTL1
SCHEMBL6823902 0.86 OPRK1 (0.54) MEN1KMT2AOPRK1
SCHEMBL6820560 0.86 MEN1 (0.78) MEN1KMT2AOPRK1L3MBTL1
SCHEMBL30201364 0.81 MEN1 (0.64) MEN1KMT2AOPRK1
SCHEMBL17946338 0.81 KMT2A (0.80) MEN1KMT2A
SCHEMBL12677187 0.81 SMN1; SMN2 (0.61) MEN1KMT2AL3MBTL1
SCHEMBL24950981 0.81 MEN1 (0.63) MEN1KMT2AOPRK1
SCHEMBL3871391 0.81 CCR2 (0.53)
SCHEMBL30201342 0.81 MEN1 (0.63) MEN1KMT2AOPRK1
SCHEMBL3871395 0.81 CCR2 (0.53)

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
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed