SCHEMBL28063018

SCHEMBL28063018

CC(c1ccccc1-c1nc2cc(C(F)(F)F)ccc2s1)[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.48
AGPAT2 O15120 3/20 0.45
DYRK1A Q13627 1/20 0.43
NCS1 P62166 1/20 0.40
AKR1B1 P15121 4/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
P2RY1 P47900 1/20 0.35
AKR1A1 P14550 1/20 0.35

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
SCHEMBL9952750 0.76 ILK (0.49) ILKAGPAT2DYRK1ANCS1MAPT
SCHEMBL12470403 0.75 ILK (0.56) ILKAGPAT2DYRK1ANCS1KDM4E
SCHEMBL9952066 0.75 ILK (0.53) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL11011940 0.74 ILK (0.52) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL9952774 0.72 ILK (0.50) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL16666638 0.72 ILK (0.50) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL2138665 0.72 ILK (0.54) ILKAGPAT2DYRK1AKDM4EMEN1
SCHEMBL9953759 0.70 ILK (0.48) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL16612077 0.69 ILK (0.47) ILKAGPAT2DYRK1ANCS1AKR1B1
SCHEMBL12471082 0.69 KDM4E (0.62) ILKAGPAT2DYRK1AKDM4ENPC1

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
CN-103261170-B Fused heterocyclic compounds and their use for pest control 住友化学株式会社 2016-08-24 CN disclosed