SCHEMBL2653915

SCHEMBL2653915

CCCCC(CCCCC(Oc1ccc(OC)c(OC)c1)C(=O)Nc1nccs1)C(=O)N(Oc1cccc(OC)c1OC)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 4/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL1565038 0.83 RAB9A (0.54) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL2652000 0.82 HSPA5 (0.36) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL2654200 0.82 NPC1 (0.43) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL1565416 0.81 HSPA5 (0.50) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL2655334 0.78 FFAR2 (0.42) SMN1; SMN2MAPK1LMNARAB9ANPC1
SCHEMBL2653858 0.77 LMNA (0.37) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL2655304 0.76 CYP1A2 (0.39) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL1565655 0.75 HSPA5 (0.52) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL1565298 0.74 NPC1 (0.56) SMN1; SMN2LMNARAB9ANPC1HSPA5
SCHEMBL1565568 0.73 NPC1 (0.55) SMN1; SMN2LMNARAB9ANPC1HSPA5

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-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 — — EP claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 — — WO claimed
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