SCHEMBL29116331

SCHEMBL29116331

FC(F)(F)c1cc(N=C=S)ccc1CN=C=S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.42
P2RY6 Q15077 2/20 0.37
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
PNMT P11086 1/20 0.32
RAD1 O60671 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LTA P01374 1/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.31
RAD51 Q06609 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL20076093 0.86 P2RY6 (0.36) MIFP2RY6ALDH1A1CYP3A4HPGD
SCHEMBL349254 0.83 P2RY6 (0.38) MIFP2RY6ALDH1A1CYP3A4HPGD
SCHEMBL16174844 0.80 RXRA (0.45) MIFP2RY6ALDH1A1CYP3A4HPGD
SCHEMBL25191267 0.79 CYP3A4 (0.36) P2RY6CYP3A4
SCHEMBL29763046 0.76 NR1H2 (0.45) ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL24566560 0.76 NR1H2 (0.45) ALDH1A1CYP3A4KDM4ETDP1
SCHEMBL1435515 0.75 P2RY6 (0.38) MIFP2RY6ALDH1A1CYP3A4HPGD
SCHEMBL30673506 0.75 P2RY6 (0.38) MIFP2RY6ALDH1A1CYP3A4HPGD
SCHEMBL2336911 0.75 MIF (0.47) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL24566001 0.74 EPHX2 (0.33) P2RY6

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-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN claimed