SCHEMBL3260077

SCHEMBL3260077

CCOc1n[nH]c(-c2ccccc2)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36

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
SCHEMBL3261776 0.83 MAPK1 (0.50) TTKMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL3390203 0.76 MAPK1 (0.43) TTKMAPTALDH1A1KDM4EHPGD
SCHEMBL13495378 0.75 SMN1; SMN2 (0.52) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3260006 0.73 CHEK1 (0.56) TTKMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL12398406 0.72 NFKB1 (0.46) TTKMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL17156157 0.71 LRRK2 (0.46) SMN1; SMN2HSD17B10MAPK1CNR1CNR2
SCHEMBL2375096 0.71 AKT2 (0.52) GAAALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3263121 0.69 MAPK1 (0.43) TTKMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13495080 0.69 L3MBTL1 (0.55) TTKMAPTSQORCNR1CNR2
SCHEMBL8430557 0.67 CNR1 (0.59) TTKGAAALDH1A1KDM4EHPGD

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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