SCHEMBL17675324

SCHEMBL17675324

O=C(Nc1nccc(C(F)(F)F)n1)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.50
DEGS1 O15121 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GAA P10253 1/20 0.46
SORT1 Q99523 1/20 0.43
BTK Q06187 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL17675491 0.84 KDM4E (0.54) SYK
SCHEMBL12859435 0.81 KMT2A (0.57) SYKHDAC8SORT1
SCHEMBL13369675 0.79 TAS2R14 (0.57) SYKTAS2R14GAAPRMT5WDR77
SCHEMBL15877196 0.78 CA1 (0.52) SYKTAS2R14HDAC8HDAC4HDAC6
SCHEMBL17675304 0.78 L3MBTL1 (0.53) GAASORT1
SCHEMBL30636648 0.77 SYK (0.62) SYKTAS2R14GAAPRMT5WDR77
SCHEMBL17675284 0.76 RAB9A (0.55) DEGS1HDAC1
Phenol SCHEMBL27923745 0.74 L3MBTL1 (0.58) SYKTAS2R14GAASORT1
SCHEMBL30472739 0.74 TMPRSS4 (0.55) GAA
SCHEMBL26789831 0.74 PRMT5 (0.52) SYKTAS2R14GAAPRMT5WDR77

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
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed