SCHEMBL7986405

SCHEMBL7986405

O=C(NCc1cccc(CNC(=O)N2CCC2)c1)N1CCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
HRH3 Q9Y5N1 4/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TPSAB1 Q15661 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.48

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
SCHEMBL17863558 0.95 KDM4E (0.54) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL5800630 0.88 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL17863572 0.85 KDM4E (0.49) KDM4EHRH3MEN1KMT2AF2
SCHEMBL17346763 0.85 NOS3 (0.56) KDM4EMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4197501 0.84 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL6559744 0.83 KDM4E (0.68) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL5217325 0.83 KDM4E (0.68) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL17864835 0.81 KDM4E (0.51) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL4560494 0.81 HRH3 (0.72) HRH3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17863574 0.80 PRSS1 (0.47) KDM4EHRH3MEN1KMT2ANPSR1

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
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed