SCHEMBL3900295

SCHEMBL3900295

O=C(O)c1ccc(C2=NCCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.64
TOP2A P11388 4/20 0.57
TOP2B Q02880 4/20 0.57
RUVBL1 Q9Y265 1/20 0.47
F10 P00742 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL14496851 0.90 NISCH (0.62) NISCHTOP2ATOP2BLMNARECQL
Hydrochloric Acid SCHEMBL3900407 0.88 NISCH (0.61) NISCHTOP2ATOP2BLMNARECQL
Hydrochloric Acid SCHEMBL8204973 0.87 NISCH (0.64) NISCHTOP2ATOP2BLMNARECQL
SCHEMBL13327264 0.84 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13160509 0.81 FDPS (0.62) NISCHGAATSHRTOP2ATOP2B
SCHEMBL31238394 0.81 FDPS (0.62) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL11680052 0.78 NISCH (0.57) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6365864 0.78 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
SCHEMBL5467582 0.78 KDM4E (0.59) NISCHGAATSHRTOP2ATOP2B
SCHEMBL1935706 0.76 NISCH (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed