SCHEMBL8120835

SCHEMBL8120835

Cc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3c(c2n1CC(C)C)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
VCP P55072 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
CASP1 P29466 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK1 P06493 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 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
SCHEMBL9048835 0.94 TLR7 (0.39) TSHRCYP3A4ALOX15MAPK1VCP
SCHEMBL8121831 0.90 USP1 (0.35) TSHRVCPSMN1; SMN2LMNACASP1
SCHEMBL8123905 0.89 SMN1; SMN2 (0.38) TSHRVCPSMN1; SMN2LMNACASP1
SCHEMBL8123022 0.89 SMN1; SMN2 (0.38) TSHRVCPSMN1; SMN2LMNACASP1
SCHEMBL8112838 0.85 LMNA (0.36) TSHRCYP3A4VCPSMN1; SMN2LMNA
SCHEMBL9050816 0.84 TLR7 (0.44) TSHRSMN1; SMN2LMNACASP1NPSR1
SCHEMBL8112841 0.84 SPR (0.32) TSHRVCPSMN1; SMN2LMNACASP1
SCHEMBL8114890 0.80 TSHR (0.43) TSHRCYP3A4ALOX15MAPK1SMN1; SMN2
SCHEMBL8122097 0.74 KDM4E (0.36) CYP3A4MAPK1NPC1KDM4EGAA
SCHEMBL8121124 0.73 KDM4E (0.36) CYP3A4MAPK1HTTHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP disclosed
US-5886006-A VIRICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-23 US 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