SCHEMBL29360602

SCHEMBL29360602

COC(=O)c1cc(C(F)(F)C(F)(F)F)sc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.39
SOS1 Q07889 1/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK4 Q16654 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NGFR P08138 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NOTUM Q6P988 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL29360896 0.84 GAA (0.43) MAPTCA12CA1CA2CA7
SCHEMBL29358940 0.83 SOS1 (0.40) CFTRSOS1MAPTCA12CA1
SCHEMBL167135 0.81 RAF1 (0.45) MAPTL3MBTL1PKM
SCHEMBL29360699 0.79 CFTR (0.35) CFTRSOS1MAPTCA12CA1
SCHEMBL24212568 0.77 RAF1 (0.40) MAPTALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL24212569 0.74 RAF1 (0.39) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL13748344 0.73 SMN1; SMN2 (0.49) MAPTCA12CA1CA2CA7
SCHEMBL29360961 0.72 GAA (0.46) MAPTCA12CA1CA2CA7
SCHEMBL167136 0.70 MAPT (0.44) MAPTCA12CA1CA2CA7
SCHEMBL168008 0.70 MAPT (0.40) CFTRSOS1MAPTCA12CA1

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