SCHEMBL7086202

SCHEMBL7086202

CC(=O)NCc1nc(C(C)C)c(Sc2cccc(F)c2)n1Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
S1PR3 Q99500 6/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNA5 P22460 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL7087251 0.93 S1PR3 (0.40) LMNAS1PR3GRIN1GRIN2BNAMPT
SCHEMBL6973170 0.92 RECQL (0.43) LMNAS1PR3GRIN1GRIN2BNAMPT
SCHEMBL7081241 0.90 TP53 (0.36) LMNAS1PR3GRIN1GRIN2BNAMPT
SCHEMBL6973606 0.90 ALDH1A1 (0.46) LMNAS1PR3GRIN1GRIN2BNAMPT
SCHEMBL6961326 0.89 GRIN1 (0.39) LMNAS1PR3GRIN1GRIN2BGAA
SCHEMBL6971326 0.89 HTT (0.41) LMNAS1PR3NAMPTKMT2ACYP1A2
SCHEMBL7083464 0.87 GRIN1 (0.39) LMNAGRIN1GRIN2BGAAKMT2A
SCHEMBL7080158 0.87 GRIN1 (0.38) LMNAS1PR3GRIN1GRIN2BNAMPT
SCHEMBL6972338 0.87 GRIN1 (0.38) LMNAS1PR3GRIN1GRIN2BKMT2A
SCHEMBL7084631 0.87 MAPT (0.42) LMNANAMPTGAAKMT2AALDH1A1

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