SCHEMBL6058712

SCHEMBL6058712

CN(C)C(=O)C12CC3CC(C1)CC(C(=O)N(C)C)(C3)C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL6058438 0.92 KMT2A (0.54) MEN1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL6058586 0.88 MEN1 (0.54) MEN1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL5608803 0.88 MEN1 (0.54) MEN1KMT2AGAANPSR1THRB
SCHEMBL5608918 0.88 NPSR1 (0.51) MEN1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL2849063 0.86 MEN1 (0.50) MEN1KMT2AGAANPSR1LMNA
SCHEMBL12104306 0.84 KMT2A (0.50) MEN1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL6059014 0.84 GAA (0.51) MEN1KMT2AGAANPSR1LMNA
SCHEMBL30526377 0.81 MEN1 (0.45) MEN1KMT2AGAANPSR1LMNA
SCHEMBL6058382 0.81 MEN1 (0.48) MEN1KMT2AGAANPSR1SMN1; SMN2
SCHEMBL6058360 0.81 KMT2A (0.48) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP disclosed
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP disclosed