SCHEMBL28938422

SCHEMBL28938422

CC(CO[SiH](c1ccccc1)c1ccccc1)N=C=S

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.43
TRPA1 O75762 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL28724027 0.79 MIF (0.40) MIFTRPA1TRPV1
SCHEMBL27912769 0.72 LMNA (0.52) TRPA1ALDH1A1HPGD
SCHEMBL8763446 0.72 MIF (0.52) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL28010163 0.72 LMNA (0.52) TRPA1ALDH1A1HPGD
SCHEMBL28978740 0.71 MAOB (0.33) CYP3A4
SCHEMBL8762408 0.68 MIF (0.52) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL28724013 0.68 MIF (0.31) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29498932 0.67 MIF (0.39) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL29498912 0.67 MIF (0.39) MIFTRPA1TRPV1ALDH1A1CYP3A4
SCHEMBL8763223 0.66 MIF (0.48) MIFTRPA1TRPV1ALDH1A1CYP3A4

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-114369097-B Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2023-07-14 CN disclosed
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed