SCHEMBL20036352

SCHEMBL20036352

OCc1ccc(C2=NCCCN2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
TOP2A P11388 4/20 0.49
TOP2B Q02880 4/20 0.49
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 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
SCHEMBL20036346 0.85 NISCH (0.51) NISCHGAATSHRTOP2ATOP2B
SCHEMBL18282371 0.78 NISCH (0.62) NISCHGAATSHRTOP2ATOP2B
SCHEMBL3058419 0.76 NISCH (0.56) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7127567 0.76 NISCH (0.56) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.76 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL18296662 0.71 NISCH (0.36) NISCHGAATSHRTOP2ATOP2B
SCHEMBL5141529 0.69 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B
SCHEMBL9528016 0.69 NISCH (0.54) NISCHGAATSHRTOP2ATOP2B
SCHEMBL31249900 0.68 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4035056 0.68 NISCH (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305759-A1 GUANIDINE COMPOUND AND BACTERICIDE Nippon Soda Co., Ltd. (JP) 2018-04-11 EP disclosed