SCHEMBL8164925

SCHEMBL8164925

c1cc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)nc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)c1.c1cc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)nc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50
NISCH Q9Y2I1 3/20 0.46
TSHR P16473 1/20 0.46
PRMT1 Q99873 1/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
METAP2 P50579 4/20 0.41
METAP1 P53582 4/20 0.41
CBFB Q13951 3/20 0.40

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
SCHEMBL548421 1.00 GAA (0.50) GAAMEN1POLBBLMUBE2N
SCHEMBL548420 0.90 NISCH (0.46) GAAMEN1POLBBLMUBE2N
SCHEMBL24312987 0.85 GAA (0.56) GAAMEN1POLBBLMKMT2A
SCHEMBL24313347 0.83 SCD (0.48) GAAMEN1POLBBLMKMT2A
SCHEMBL8677423 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL548343 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL548349 0.81 NISCH (0.46) GAANISCHTSHRPRMT1TOP2A
SCHEMBL21900562 0.81 MEN1 (0.59) GAAMEN1POLBBLMKMT2A
SCHEMBL21856214 0.81 MEN1 (0.48) GAAMEN1POLBBLMKMT2A
SCHEMBL24312904 0.80 SCD (0.47) GAAMEN1POLBBLMKMT2A

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-0973750-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION The University of North Carolina at Chapel Hill (US) 2000-01-26 EP disclosed
WO-1998038170-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-03 WO disclosed