SCHEMBL7861823

SCHEMBL7861823

CC(N)Oc1cccc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 2/20 0.34
THRB P10828 1/20 0.34
MCHR1 Q99705 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32

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
SCHEMBL2730411 0.81 GRM6 (0.49) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL27770533 0.79 GRM6 (0.41) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL17054139 0.76 GRM6 (0.39) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL976497 0.76 MMP2 (0.47) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL7870163 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL2718238 0.75 CA12 (0.48) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL16680460 0.75 THRB (0.40) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL4644479 0.74 GRM6 (0.43) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL6830109 0.74 POLB (0.45) GRM6SLC7A5ALDH1A1KDM4EGLA
SCHEMBL10982569 0.74 GRM6 (0.43) GRM6SLC7A5ALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067928-A4 METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2001-11-14 EP disclosed
EP-1067928-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO disclosed