SCHEMBL6960474

SCHEMBL6960474

CC(C)c1nc(CCCO)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.42
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
GRM5 P41594 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33
TRPC5 Q9UL62 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
SCHEMBL6969738 0.93 MAOB (0.40) TLR8MAOBMEN1KMT2ANPSR1
SCHEMBL6969476 0.89 MEN1 (0.39) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6976442 0.89 TLR8 (0.38) TLR8
SCHEMBL6971946 0.87 TLR8 (0.40) TLR8MEN1KMT2ANPSR1TDP1
SCHEMBL7083517 0.87 GCGR (0.38) TLR8MAOBNPSR1MAOANOTUM
SCHEMBL7085819 0.86 MAOB (0.40) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL7084560 0.86 SMN1; SMN2 (0.39) TLR8MEN1KMT2APOLB
SCHEMBL6970756 0.85 HDAC6 (0.41) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6969465 0.84 MAOB (0.38) TLR8MAOBMEN1KMT2ANPSR1
SCHEMBL7078933 0.84 MAOB (0.35) TLR8MAOBMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed