SCHEMBL28468784

SCHEMBL28468784

COc1cc(C)c(S(=O)(=O)N(CCCC(N)C(=O)O)C(=N)N)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
F2 P00734 1/20 0.39
AVPR1B P47901 6/20 0.38
AVPR1A P37288 9/20 0.36
PLG P00747 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
SCHEMBL32679729 1.00 NOS3 (0.43) NOS3NOS1NOS2F2AVPR1B
SCHEMBL30963075 0.82 ALDH1A1 (0.39) F2AVPR1BAVPR1APLG
SCHEMBL22804092 0.82 ALDH1A1 (0.39) F2AVPR1BAVPR1APLG
SCHEMBL30963077 0.82 ALDH1A1 (0.39) F2AVPR1BAVPR1APLG
SCHEMBL29883683 0.81 AVPR1B (0.36) F2AVPR1BAVPR1A
SCHEMBL30963076 0.79 AVPR1B (0.43) F2AVPR1BAVPR1APLG
SCHEMBL22804072 0.79 AVPR1B (0.43) F2AVPR1BAVPR1APLG
SCHEMBL30963079 0.79 AVPR1B (0.43) F2AVPR1BAVPR1APLG
SCHEMBL22127945 0.77 KDM4E (0.38) F2AVPR1BAVPR1APLG
SCHEMBL22127943 0.77 KDM4E (0.38) F2AVPR1BAVPR1APLG

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-111760473-A Composite semipermeable membrane, preparation method and application 中国石油化工股份有限公司 2020-10-13 CN disclosed
CN-111760472-A Composite membrane and preparation method and application thereof 中国石油化工股份有限公司 2020-10-13 CN disclosed