SCHEMBL8344845

SCHEMBL8344845

CC(C)c1nc(CCC(=O)O)n(Cc2cccnc2)c1Sc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ENPP2 Q13822 3/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TBXA2R P21731 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
TBXAS1 P24557 7/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6973501 0.93 LMNA (0.40) PKMENPP2LMNAHDAC6TBXA2R
SCHEMBL6969581 0.91 ENPP2 (0.37) PKMENPP2LMNAGRIN1GRIN2B
SCHEMBL8347170 0.90 TBXA2R (0.42) ENPP2LMNATBXA2RGRIN1GRIN2B
SCHEMBL8342977 0.90 LMNA (0.45) ENPP2LMNAHDAC6TBXAS1PTGDR2
SCHEMBL8345861 0.90 LMNA (0.42) ENPP2LMNAHDAC6TBXA2RGRIN1
SCHEMBL6975548 0.89 GRIN1 (0.38) ENPP2TBXA2RGRIN1GRIN2B
SCHEMBL6969811 0.88 GRIN1 (0.37) ENPP2TBXA2RGRIN1GRIN2B
SCHEMBL6972991 0.88 GRIN1 (0.38) GRIN1GRIN2B
SCHEMBL7083464 0.87 GRIN1 (0.39) LMNAGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL7080841 0.87 GRIN1 (0.36) ENPP2LMNAGRIN1GRIN2BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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