SCHEMBL7413167

SCHEMBL7413167

O=C(O)CCC(=NO)c1ccc(-c2cnc(Cl)nc2)cc1.O=C(O)CCC(=NO)c1ccc(-c2ncc(Cl)cn2)cc1.O=C(O)CCC(=NO)c1cnc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.36
GCGR P47871 12/20 0.33
MAP4K4 O95819 2/20 0.33
KMO O15229 1/20 0.32
TSHR P16473 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL7413164 1.00 EGLN1 (0.36) EGLN1GCGRMAP4K4KMOTSHR
SCHEMBL7406137 0.85 KMO (0.43) EGLN1GCGRMAP4K4KMOTSHR
SCHEMBL7406138 0.85 KMO (0.43) EGLN1GCGRMAP4K4KMOTSHR
SCHEMBL7411451 0.81 HDAC8 (0.43) EGLN1GCGRMAP4K4HDAC8
SCHEMBL7412488 0.81 HDAC4 (0.41) MAP4K4TSHRHDAC8
SCHEMBL7411447 0.81 HDAC8 (0.43) EGLN1GCGRMAP4K4HDAC8
SCHEMBL7412483 0.81 HDAC4 (0.41) MAP4K4TSHRHDAC8
SCHEMBL7406546 0.77 TSHR (0.44) EGLN1MAP4K4TSHR
SCHEMBL7406549 0.77 TSHR (0.44) EGLN1MAP4K4TSHR
SCHEMBL7407260 0.76 MAP4K4 (0.39) EGLN1GCGRMAP4K4TSHR

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
WO-1999018079-A1 HETEROARYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-04-15 WO claimed