SCHEMBL6969738

SCHEMBL6969738

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.36
GRM5 P41594 3/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NOTUM Q6P988 1/20 0.34
TLR8 Q9NR97 2/20 0.34
POLB P06746 1/20 0.34
PDE4B Q07343 1/20 0.34
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6960474 0.93 TLR8 (0.42) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6969476 0.91 MEN1 (0.39) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL7085819 0.88 MAOB (0.40) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6963069 0.88 HSP90B1 (0.34) TLR8CCR2CCR5
SCHEMBL6970756 0.87 HDAC6 (0.41) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6960470 0.86 TP53 (0.36) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL7081102 0.86 GCGR (0.36) MAOBMEN1KMT2ANPSR1MAOA
SCHEMBL7078933 0.86 MAOB (0.35) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6961416 0.86 MEN1 (0.39) MAOBMEN1KMT2ANPSR1TDP1
SCHEMBL6962737 0.85 SMN1; SMN2 (0.40) MAOBMEN1KMT2AMAOARXFP1

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