SCHEMBL29362597

SCHEMBL29362597

CCOC(=O)c1cc(C(F)(F)F)sc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PTPN2 P17706 2/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 5/20 0.38

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
SCHEMBL29359939 0.90 CYP4F2 (0.41) CYP4F2CYP4A11GAAMAPK1HDAC3
SCHEMBL29360961 0.81 GAA (0.46) GAAMAPK1HDAC3HDAC4HDAC1
SCHEMBL5128149 0.79 GAA (0.63) GAAMAPK1HDAC3HDAC4HDAC1
SCHEMBL23412773 0.74 GAA (0.52) GAATSHRKDM4ENPSR1MAPT
SCHEMBL3102165 0.73 GAA (0.46) GAAMAPK1HDAC3HDAC4HDAC1
SCHEMBL20028532 0.73 HPGD (0.53) GAATSHRKDM4ENPSR1MAPT
SCHEMBL29361246 0.72 PTPN2 (0.43) CYP4F2CYP4A11GAAMAPK1HDAC3
SCHEMBL29360896 0.72 GAA (0.43) GAAMAPK1HDAC3HDAC4HDAC1
SCHEMBL3647679 0.70 GAA (0.63) GAAMAPK1TSHRKDM4EMAPT
SCHEMBL2287846 0.70 GAA (0.50) CYP4F2CYP4A11GAAMAPK1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022017975-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-01-27 WO disclosed