SCHEMBL8626089

SCHEMBL8626089

CCOC(=O)C(C)Sc1cc(-c2n[nH]c(SC)c2CCl)c(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
PPOX P50336 1/20 0.30
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
PRNP P04156 1/20 0.30

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
SCHEMBL8628626 0.88 TYMP (0.33) LMNAKDM4EHSD17B10
SCHEMBL8626439 0.82 PPOX (0.37) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL8621145 0.74 ALDH1A1 (0.38) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL9857314 0.68 ALDH1A1 (0.33) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL9856906 0.68 PPOX (0.35) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL6594445 0.64 MAPT (0.41) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL8603149 0.64 MAPT (0.41) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL6562067 0.63 MAPT (0.57) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL4678444 0.61 MAPT (0.39) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL9856780 0.61 PPOX (0.34) TDP1MAPTALDH1A1LMNAKDM4E

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
EP-0443059-B1 3-(Substituted phenyl)pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO LTD (JP) 1998-06-17 EP disclosed