SCHEMBL27879752

SCHEMBL27879752

CCC(=O)Oc1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CCR1 P32246 1/20 0.45
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
SPR P35270 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1120153 0.91 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL27863439 0.87 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL13523714 0.85 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL20801744 0.84 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1228464 0.84 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL1120082 0.84 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL27879754 0.84 CCR1 (0.52) GAACCR1LMNATP53L3MBTL1
SCHEMBL121172 0.84 GAA (0.50) GAACCR1LMNATP53L3MBTL1
Hydrochloric Acid SCHEMBL1228510 0.84 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL2509441 0.84 GAA (0.50) GAACCR1LMNATP53L3MBTL1

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
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN claimed
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed