SCHEMBL8128243

SCHEMBL8128243

Nc1nc2cnc3c(c2n1Cc1ccccc1)CCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.42
▸ CXCL8 P10145 1/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ BCHE P06276 5/20 0.42
▸ ACHE P22303 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CACNB4 O00305 1/20 0.42
▸ CACNA1A O00555 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNG3 O60359 1/20 0.42

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
SCHEMBL843162 0.69 ALDH1A1 (0.42) TNFCXCL8SOS1NOD2NOD1
SCHEMBL8113707 0.68 PDE4D (0.47) BCHEACHEALDH1A1HSD17B10TSHR
SCHEMBL939417 0.66 TNF (0.79) TNFCXCL8SOS1NOD2NOD1
SCHEMBL9048954 0.65 FGFR1 (0.44) ALDH1A1HSD17B10KDM4EHTT
SCHEMBL7165480 0.64 TNF (0.87) TNFCXCL8SOS1NOD2NOD1
SCHEMBL30514286 0.63 BCHE (0.52) BCHEACHEALDH1A1HSD17B10TSHR
SCHEMBL27010531 0.63 BCHE (0.52) BCHEACHEALDH1A1HSD17B10TSHR
SCHEMBL11809400 0.63 SOS1 (0.66) TNFCXCL8SOS1NOD2NOD1
SCHEMBL26377719 0.63 HSD17B10 (0.50) BCHEACHEALDH1A1HSD17B10TSHR
SCHEMBL30514290 0.63 HSD17B10 (0.50) BCHEACHEALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 — — EP claimed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 — — EP claimed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 — — WO claimed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 — — US claimed
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 — — EP disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 — — US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 — — US disclosed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 — — EP disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 — — US disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 — — WO disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 — — US disclosed
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