SCHEMBL3267568

SCHEMBL3267568

Cc1[nH]nc(OC(C)C)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 3/20 0.56
▸ CHEK1 O14757 3/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ LRRK2 Q5S007 1/20 0.45
▸ TP53 P04637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL3261526 0.85 LRRK2 (0.51) AKT2CHEK1KMT2ALRRK2HSD17B10
SCHEMBL3390214 0.84 IKBKB (0.55) AKT2CHEK1KMT2ALRRK2TP53
SCHEMBL3263313 0.83 ALK (0.47) AKT2CHEK1LRRK2IKBKELMNA
SCHEMBL3261336 0.83 HSP90AA1 (0.48) KMT2ALRRK2TP53HSD17B10NPSR1
SCHEMBL3262839 0.81 MAPT (0.49) TP53KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3261073 0.78 L3MBTL1 (0.55) AKT2CHEK1KMT2ALRRK2NPSR1
SCHEMBL3259645 0.77 KMT2A (0.50) KMT2ALRRK2TP53HSD17B10NPSR1
SCHEMBL3260006 0.77 CHEK1 (0.56) AKT2CHEK1KMT2ALRRK2TP53
SCHEMBL3262752 0.73 SLC5A2 (0.49) KMT2ALRRK2HSD17B10MEN1POLB
SCHEMBL9048116 0.73 AKT2 (0.66) AKT2CHEK1KMT2ATP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
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