SCHEMBL3262867

SCHEMBL3262867

COc1cccc(-n2[nH]c(=O)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.54
MGLL Q99685 1/20 0.50
CYP1A2 P05177 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
ALOX5 P09917 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
TYMP P19971 1/20 0.44
ADRB1 P08588 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL10373240 0.83 MAPT (0.61) MGLLMEN1KMT2ARAB9AL3MBTL1
SCHEMBL3264283 0.79 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL3262746 0.79 NPC1 (0.42) ALKBH5MEN1KMT2ANPC1RAB9A
SCHEMBL486408 0.77 MAPT (0.71) ALKBH5MGLLCYP1A2MEN1KMT2A
SCHEMBL28011551 0.76 TP53 (0.49) ALKBH5MGLLCYP1A2MEN1KMT2A
SCHEMBL1114873 0.75 HSP90AA1 (0.46) CYP1A2KMT2ANPC1RAB9AALDH1A1
SCHEMBL29401773 0.73 ALKBH5 (0.51) ALKBH5CYP1A2MEN1KMT2ANPC1
SCHEMBL3268349 0.71 CYP2E1 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL16719288 0.70 NOTUM (0.57) MGLLCYP1A2MEN1KMT2ANPC1
SCHEMBL3835955 0.69 ALDH1A1 (0.39) ALKBH5MEN1KMT2ANPC1RAB9A

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