SCHEMBL14470744

SCHEMBL14470744

CN(CCCn1c(N)nc2cccc(C3C=C3)c21)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.41
▸ TLR8 Q9NR97 4/20 0.40
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL5468452 0.85 TLR8 (0.45) CXCR3TLR8NPC1LMNATP53
SCHEMBL5482661 0.85 CXCR3 (0.53) CXCR3TLR8NPC1LMNATP53
SCHEMBL5463737 0.78 PRMT5 (0.47) CXCR3TLR8NPC1LMNATP53
SCHEMBL5453372 0.78 TLR8 (0.41) CXCR3TLR8NPC1LMNATP53
SCHEMBL5090938 0.75 CXCR3 (0.47) CXCR3TLR8CXCR4
SCHEMBL5468418 0.74 POLB (0.55) CXCR3TLR8NPC1RAB9ASMN1; SMN2
SCHEMBL5480685 0.71 TLR8 (0.48) CXCR3TLR8LMNACXCR4
SCHEMBL5473914 0.71 PRMT5 (0.49) CXCR3TLR8CXCR4
SCHEMBL14373235 0.67 PRMT5 (0.43) CXCR3TLR8TP53CXCR4
SCHEMBL8641718 0.65 HDAC6 (0.59) HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed
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