SCHEMBL25757616

SCHEMBL25757616

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=N)NO)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
CCR1 P32246 1/20 0.43
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 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
SCHEMBL12475143 0.92 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL12186082 0.91 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL121172 0.89 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL2509441 0.89 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL1879570 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL8512452 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL2580001 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL1879572 0.88 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL2598636 0.86 GAA (0.47) GAACCR1LMNATP53L3MBTL1
SCHEMBL2598635 0.86 GAA (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed