SCHEMBL11561983

SCHEMBL11561983

CCCCCn1cnnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.46
▸ CNR1 P21554 1/20 0.39
▸ ICMT O60725 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL544817 0.74 TLR8 (0.53) TLR8KMT2ATDP1
SCHEMBL11746748 0.74 SQOR (0.41) L3MBTL1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9470636 0.73 TLR8 (0.51) TLR8KMT2ATDP1
SCHEMBL11619066 0.73 TLR8 (0.51) TLR8KMT2ATDP1
SCHEMBL25939122 0.72 ALDH1A1 (0.44) TLR8KMT2ATDP1
SCHEMBL11078598 0.70 TLR8 (0.41) TLR8NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1844669 0.70 CCNA2 (0.37) —
SCHEMBL18050888 0.70 TLR8 (0.42) TLR8CNR1ICMTNPC1RAB9A
SCHEMBL7988227 0.70 TLR8 (0.45) TLR8CNR1ICMTNPC1RAB9A
SCHEMBL11381033 0.69 TLR8 (0.40) TLR8KMT2ATDP1

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
US-4154841-A Antiinflammatory 1-acyl-3(5)-alkyl-5(3)-phenyl-1,2,4-triazoles E. R. SQUIBB & SONS, INC. (US) 1979-05-15 — — US disclosed
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