SCHEMBL28782014

SCHEMBL28782014

CC(OC1CCCCO1)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTPN1 P18031 2/20 0.33

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
SCHEMBL2649805 0.84 KDM4C (0.34) SLC6A3KDM4CPTPN1
SCHEMBL31568981 0.81 KDM4C (0.32) KDM4CPTPN1
SCHEMBL17447727 0.81 IDO1 (0.47) SLC6A3KDM4C
SCHEMBL566131 0.80 HSD11B1 (0.39) KDM4CPTPN1
SCHEMBL2402808 0.80 KDM4C (0.39) SLC6A3KDM4CPTPN1
SCHEMBL9330242 0.80 KDM4C (0.32) KDM4CPTPN1
SCHEMBL24478275 0.79 PTPN1 (0.31) PTPN1
SCHEMBL13686149 0.79 SLC6A3 (0.46) SLC6A3KDM4C
SCHEMBL11200493 0.78 CYP2C19 (0.34) SLC6A3KDM4CPTPN1
SCHEMBL26671300 0.77 CA2 (0.40) PTPN1

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-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN disclosed