SCHEMBL6969389

SCHEMBL6969389

CC(C)c1nc(CCC(=O)O)n(Cc2ccccn2)c1Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ENPP2 Q13822 3/20 0.38
HDAC6 Q9UBN7 3/20 0.37
SLC22A12 Q96S37 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5AP P20292 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
SCHEMBL6974453 0.91 ENPP2 (0.38) LMNAPTGDR2RXFP1ENPP2HDAC1
SCHEMBL8343030 0.91 LMNA (0.40) LMNAPTGDR2RXFP1ENPP2SLC22A12
SCHEMBL8344784 0.91 LMNA (0.38) LMNAPTGDR2RXFP1ENPP2ALDH1A1
SCHEMBL7084157 0.89 TLR7 (0.37) LMNAPTGDR2ENPP2TLR7ALDH1A1
SCHEMBL8346904 0.88 CFTR (0.41) LMNAALDH1A1CYP1A2SMN1; SMN2MAPT
SCHEMBL8346908 0.88 CFTR (0.41) LMNAALDH1A1CYP1A2SMN1; SMN2MAPT
SCHEMBL7084830 0.87 TLR7 (0.40) PTGDR2ENPP2TLR7ALDH1A1HDAC1
SCHEMBL6973209 0.86 HRH1 (0.40) LMNAPTGDR2TLR7ALDH1A1HDAC1
SCHEMBL6966916 0.86 CYP1A2 (0.35) PTGDR2ENPP2TLR7ALDH1A1HDAC1
SCHEMBL6963974 0.86 ALDH1A1 (0.37) LMNAPTGDR2TLR7ALDH1A1CYP1A2

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