SCHEMBL16710170

SCHEMBL16710170

O=c1[nH]ccc(OCC(F)(F)F)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAPT P10636 4/20 0.37
▸ TYMP P19971 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP2 Q9UGN5 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
SCHEMBL16653571 0.86 PIM1 (0.39) PIM1PIM3CLK4MAPTTYMP
SCHEMBL14152978 0.79 MAPT (0.42) MAPTKDM4EALDH1A1GAAROCK2
SCHEMBL29848758 0.74 KDM4E (0.43) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL10760551 0.74 PIM1 (0.46) PIM1PIM3CLK4MAPTTYMP
SCHEMBL5862985 0.68 MAOB (0.51) POLBHPGDL3MBTL1
SCHEMBL28288419 0.67 MAPT (0.52) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL3976914 0.67 MAPT (0.63) CLK4MAPTTYMPALDH1A1JAK2
SCHEMBL692156 0.65 MAPT (0.56) PIM1PIM3CLK4MAPTTYMP
SCHEMBL8108278 0.65 MAPT (0.47) MAPTTYMPKDM4EALDH1A1ROCK2
SCHEMBL8133180 0.65 KDM4E (0.59) MAPTKDM4EALDH1A1POLBROCK2

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
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 — — US disclosed
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