SCHEMBL9528016

SCHEMBL9528016

[NH]C(=O)Cc1ccc(C2=NCCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
TOP2A P11388 4/20 0.51
TOP2B Q02880 4/20 0.51
RUVBL1 Q9Y265 1/20 0.44
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL11682356 0.85 NISCH (0.54) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL11680052 0.85 NISCH (0.57) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4703726 0.85 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL11761895 0.84 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
SCHEMBL18282371 0.80 NISCH (0.62) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.79 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL1935706 0.77 NISCH (0.55) NISCHGAATSHRTOP2ATOP2B
SCHEMBL5798100 0.77 NISCH (0.61) NISCHTOP2ATOP2BPPARGLMNA
SCHEMBL4701782 0.76 NISCH (0.59) NISCHTOP2ATOP2BPPARGLMNA
SCHEMBL3900295 0.75 NISCH (0.64) NISCHGAATSHRTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187500-B1 MONOBACTAMS THE UPJOHN COMPANY (US) 1993-04-28 EP disclosed
EP-0187500-A1 Monobactams THE UPJOHN COMPANY (US) 1986-07-16 EP disclosed