SCHEMBL2649828

SCHEMBL2649828

O=C(Nc1nc(C(=O)O)c(Cl)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1nc(C(=O)O)c(Cl)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
DHODH Q02127 1/20 0.39
SERPINE1 P05121 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CXCR2 P25025 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1342120 0.96 SERPINE1 (0.41) GRIK1KDM4ERAB9ANPC1SERPINE1
SCHEMBL1340657 0.93 ALDH1A1 (0.40) KDM4ERAB9ANPC1DHODHHSD17B10
SCHEMBL2649833 0.92 ALDH1A1 (0.40) GRIK1KDM4ERAB9ANPC1CNR1
SCHEMBL10002704 0.88 GRIK1 (0.37) GRIK1KDM4ERAB9ANPC1DHODH
SCHEMBL1341032 0.87 LMNA (0.42) GRIK1RAB9ANPC1NR1H4LMNA
SCHEMBL1341838 0.87 SERPINE1 (0.39) GRIK1KDM4ERAB9ANPC1SERPINE1
SCHEMBL1341115 0.87 KMT2A (0.41) KDM4ERAB9ANPC1DHODHALDH1A1
SCHEMBL1342268 0.84 CSNK1D (0.39) GRIK1LMNAMAPTKMT2A
SCHEMBL1341804 0.84 SERPINE1 (0.38) GRIK1KDM4ERAB9ANPC1SERPINE1
SCHEMBL1340913 0.84 MAPT (0.44) KDM4ERAB9ANPC1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed