SCHEMBL8575152

SCHEMBL8575152

NCCCCc1nc2ccccc2c2[nH]c(CO)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
TLR8 Q9NR97 6/20 0.39
TERT O14746 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP1 P09874 2/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
POLB P06746 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL8576858 0.86 PARP1 (0.48) JAK2TLR8KDM4EPARP1TLR7
SCHEMBL8576955 0.79 KMT2A (0.44) KDM4EPARP1MAPT
SCHEMBL8572046 0.77 GAA (0.46) ADORA3MAOAKDM4EPARP1MAPT
SCHEMBL19475356 0.70 RAD52 (0.43) TLR8TERTPARP1TLR7POLB
SCHEMBL5502915 0.70 TLR7 (0.31) TLR7POLB
SCHEMBL8565234 0.66 TNKS2 (0.46) ADORA3KDM4EPARP1TLR7POLB
SCHEMBL6795539 0.65 PARP1 (0.69) PARP1POLBPARP2
SCHEMBL9038851 0.65 PARP1 (0.57) TLR8PARP1TLR7
SCHEMBL31104462 0.65 HTR6 (0.47) JAK2TERTKDM4EPOLB
SCHEMBL4586845 0.64 TLR8 (0.36) TLR8ADORA3TLR7

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-5741909-A PHARMACEUTICAL COMPOSITIONS WHICH ACT AS ANTIVIRAL AGENTS, INDUCE BIOSYNTHESIS OF INTERFERON AND INHIBIT TUMOR FORMATION IN ANIMALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-21 US disclosed