SCHEMBL6410169

SCHEMBL6410169

CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CC1)CC(OC(=O)O)=NO3)C(=O)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CXCR3 P49682 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6410166 0.86 KDM4E (0.62) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6409808 0.85 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL2400943 0.76 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL2400849 0.76 MEN1 (0.53) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL11623286 0.76 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL29040265 0.76 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL7756182 0.74 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6667166 0.74 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL1298199 0.73 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL6783522 0.72 SMN1; SMN2 (0.75) KDM4ESMN1; SMN2MEN1KMT2ACXCR3

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
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed