SCHEMBL9029321

SCHEMBL9029321

CC1CNC(c2ccc3[nH]c(Cc4nc5cc(C6=NC(C)CN6)ccc5[nH]4)nc3c2)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
F10 P00742 4/20 0.33
GAA P10253 1/20 0.33
TPSAB1 Q15661 3/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EGFR P00533 1/20 0.32
F7 P08709 1/20 0.32
POLB P06746 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
SCHEMBL9028811 0.85 DDAH1 (0.33) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL9029139 0.74 NISCH (0.54)
SCHEMBL9024370 0.74 NPC1 (0.34) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL1627638 0.73 NISCH (0.37) LMNA
SCHEMBL9040777 0.72 NISCH (0.47) GAA
SCHEMBL9112216 0.72 NPC1 (0.33) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL14854508 0.71 PRMT1 (0.41) NPC1MAPTRAB9A
SCHEMBL9111634 0.71 NISCH (0.48) GAA
SCHEMBL9112379 0.71 TOP2A (0.49) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL9028183 0.71 TOP2A (0.49) NPC1LMNAMAPTRAB9ASMN1; SMN2

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