SCHEMBL9028811

SCHEMBL9028811

CCC1CNC(c2ccc3[nH]c(Cc4nc5cc(C6=NC(CC)CN6)ccc5[nH]4)nc3c2)=N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 3/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
TPSAB1 Q15661 3/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
TSHR P16473 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL9029321 0.85 NPC1 (0.34) DDAH1AAK1LMNANPC1MAPT
SCHEMBL9029139 0.72 NISCH (0.54)
SCHEMBL9024370 0.72 NPC1 (0.34) DDAH1AAK1LMNANPC1MAPT
SCHEMBL9024334 0.72 TDP1 (0.38) MAPTGAATSHRPOLB
SCHEMBL9040777 0.70 NISCH (0.47) GAATSHR
SCHEMBL9112216 0.70 NPC1 (0.33) DDAH1AAK1LMNANPC1MAPT
SCHEMBL9111634 0.69 NISCH (0.48) GAATSHR
SCHEMBL9112379 0.69 TOP2A (0.49) AAK1LMNANPC1MAPTRAB9A
SCHEMBL9028183 0.69 TOP2A (0.49) AAK1LMNANPC1MAPTRAB9A
SCHEMBL9112632 0.69 TOP2A (0.49) AAK1LMNANPC1MAPTRAB9A

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