SCHEMBL2663264

SCHEMBL2663264

CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NC(=N)/N=N\N)cc2)C(=O)Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.45
EPHX2 P34913 5/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GCGR P47871 2/20 0.38
GIPR P48546 2/20 0.38
GLP1R P43220 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
HDAC6 Q9UBN7 3/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4091439 0.78 GCGR (0.51) NR1H4EPHX2MEN1KMT2AGCGR
SCHEMBL2663513 0.75 GCGR (0.44) NR1H4MEN1KMT2AGCGRGIPR
SCHEMBL2663126 0.73 GCGR (0.47) NR1H4MEN1KMT2AGCGRGIPR
SCHEMBL2663340 0.73 NR1H4 (0.39) NR1H4MEN1KMT2APTGESALOX5
SCHEMBL9072920 0.73 MAPT (0.47) NR1H4MEN1KMT2AGCGRGIPR
SCHEMBL9072679 0.73 OPRK1 (0.38) MEN1KMT2AGCGRGIPRGLP1R
SCHEMBL9072801 0.72 GCGR (0.47) NR1H4MEN1KMT2AGCGRGIPR
SCHEMBL2663372 0.72 GCGR (0.48) MEN1KMT2AGCGRGIPRGLP1R
SCHEMBL2663220 0.72 KMT2A (0.53) MEN1KMT2AGCGRGIPRGLP1R
SCHEMBL2663134 0.72 RAB9A (0.50) MEN1KMT2AGCGRGIPRRAB9A

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed