SCHEMBL25948765

SCHEMBL25948765

CS(=O)(=O)C1CCCCCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.53
SLC6A1 P30531 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
SLC6A11 P48066 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL30600203 0.98 APLNR (0.55) APLNRSLC6A1TSHRLMNASLC6A11
SCHEMBL6398719 0.91 APLNR (0.63) APLNRSLC6A1TSHRLMNASLC6A11
SCHEMBL5035847 0.82
SCHEMBL116683 0.82
SCHEMBL1872649 0.82
Hydrochloric Acid SCHEMBL31320031 0.80 GABRA5 (0.44) APLNRSLC6A1TSHRLMNASLC6A11
Hydrochloric Acid SCHEMBL6178563 0.80 GABRA5 (0.44) APLNRSLC6A1TSHRLMNASLC6A11
SCHEMBL25873254 0.79 APLNR (0.53) APLNRSLC6A1TSHRLMNASLC6A11
SCHEMBL25040398 0.77 APLNR (0.88) APLNRSLC6A1TSHRLMNASLC6A11
SCHEMBL30889121 0.77 APLNR (0.88) APLNRSLC6A1TSHRLMNASLC6A11

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-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 CN disclosed
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed