SCHEMBL2652000

SCHEMBL2652000

CCCCC(CCCCC(Oc1ccc(F)c(F)c1)C(=O)Nc1nccs1)C(=O)N(Oc1ccc(F)cc1F)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FFAR2 O15552 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1565403 0.83 LMNA (0.50) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL2653915 0.82 SMN1; SMN2 (0.39) HSPA5LMNAL3MBTL1NPC1HPGD
SCHEMBL1565421 0.81 HSPA5 (0.48) HSPA5L3MBTL1NPC1TP53HPGD
SCHEMBL2655334 0.78 FFAR2 (0.42) HSPA5LMNANPC1HPGDRAB9A
SCHEMBL2654200 0.78 NPC1 (0.43) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL1564907 0.78 TP53 (0.55) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL1565628 0.77 TP53 (0.54) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL2653858 0.76 LMNA (0.37) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL2655304 0.75 CYP1A2 (0.39) HSPA5LMNAL3MBTL1NPC1TP53
SCHEMBL1565038 0.73 RAB9A (0.54) HSPA5LMNAL3MBTL1NPC1TP53

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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