SCHEMBL3864355

SCHEMBL3864355

COc1cc(NC(=O)C2CC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2CCC2CC2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ HSD17B10 Q99714 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL1930920 0.87 ACHE (0.38) MAPK1HSD17B10HPGDPOLBSMN1; SMN2
SCHEMBL1929911 0.86 MAPK1 (0.50) MAPK1HSD17B10HPGDPOLBSMN1; SMN2
SCHEMBL1929830 0.83 L3MBTL1 (0.39) MAPK1HSD17B10HPGDSMN1; SMN2USP2
SCHEMBL1930919 0.79 L3MBTL1 (0.35) MAPK1HSD17B10HPGDSMN1; SMN2USP2
SCHEMBL1930363 0.76 NPC1 (0.50) MAPK1HSD17B10HPGDPOLBSMN1; SMN2
SCHEMBL1930206 0.75 L3MBTL1 (0.48) MAPK1HSD17B10HPGDSMN1; SMN2USP2
SCHEMBL1930375 0.75 ALDH1A1 (0.49) HSD17B10HPGDPOLBSMN1; SMN2TSHR
SCHEMBL1929051 0.71 L3MBTL1 (0.51) MAPK1HSD17B10HPGDPOLBSMN1; SMN2
SCHEMBL3861840 0.70 L3MBTL1 (0.41) MAPK1HSD17B10HPGDSMN1; SMN2USP2
SCHEMBL1930606 0.70 GUSB (0.42) HSD17B10HPGDSMN1; SMN2L3MBTL1MAPT

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
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 — — US claimed
Send feedback