SCHEMBL6972096

SCHEMBL6972096

CC(C)c1nc(CNS(C)(=O)=O)n(Cc2ccncc2)c1Sc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TP53 P04637 3/20 0.32
POLB P06746 2/20 0.32
NAMPT P43490 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSK3B P49841 1/20 0.32
IDH1 O75874 1/20 0.31
GUSB P08236 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL7081725 0.92 TP53 (0.32) LMNAIDO1TDP1TP53POLB
SCHEMBL7084297 0.91 LMNA (0.40) LMNAIDO1TDP1TP53POLB
SCHEMBL6967611 0.90 GRIN1 (0.35) LMNAIDO1TP53POLBNAMPT
SCHEMBL6964165 0.90 POLB (0.38) LMNATDP1TP53POLBTHRB
SCHEMBL6972144 0.88 IDO1 (0.35) LMNAIDO1TDP1TP53POLB
SCHEMBL6973819 0.88 TP53 (0.35) LMNATDP1ADRB2ADRB1ADRB3
SCHEMBL7082239 0.87 MAPT (0.42) TP53POLBTHRBALDH1A1
SCHEMBL7086513 0.87 GRIN1 (0.36) LMNATP53POLBTHRBALDH1A1
SCHEMBL6974067 0.86 POLB (0.38) LMNAIDO1TDP1ADRB2ADRB1
SCHEMBL6974725 0.85 POLB (0.37) LMNAIDO1TDP1TP53POLB

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