SCHEMBL9028183

SCHEMBL9028183

c1cc2[nH]c(Cc3nc4cc(C5=N[C@@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
TOP2B Q02880 2/20 0.49
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 3/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
TPSAB1 Q15661 3/20 0.31
F2 P00734 2/20 0.31

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
SCHEMBL9112632 1.00 TOP2A (0.49) TOP2ATOP2BAAK1LMNANPC1
SCHEMBL9112379 1.00 TOP2A (0.49) TOP2ATOP2BAAK1LMNANPC1
SCHEMBL9029007 1.00 TOP2A (0.49) TOP2ATOP2BAAK1LMNANPC1
SCHEMBL9111081 0.94 TOP2A (0.44) TOP2ATOP2BAAK1LMNANPC1
SCHEMBL14029046 0.75 TOP2A (0.78) TOP2ATOP2BLMNANPC1RAB9A
SCHEMBL9081982 0.72 TOP2A (0.54) TOP2ATOP2BAAK1LMNANPC1
SCHEMBL9029321 0.71 NPC1 (0.34) AAK1LMNANPC1RAB9AMAPT
SCHEMBL9114197 0.71 TOP2A (0.58) TOP2ATOP2BLMNANPC1RAB9A
SCHEMBL9113764 0.71 TOP2A (0.58) TOP2ATOP2BLMNANPC1RAB9A
SCHEMBL9028178 0.70 TOP2A (0.48) TOP2ATOP2BLMNAMAPTADRA2A

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-0720603-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed