SCHEMBL30587797

SCHEMBL30587797

CCn1nc(-c2nc(N3CCCc4cc(C=O)ccc43)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26108216 1.00 MEN1 (0.36) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26108660 0.95 ADRB2 (0.32) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL30629061 0.95 ADRB2 (0.32) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL30587810 0.86 JAK2 (0.38) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26109071 0.86 JAK2 (0.38) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26112264 0.83 S1PR1 (0.35) ALDH1A1GAAMAPT
SCHEMBL30587801 0.83 S1PR1 (0.35) ALDH1A1GAAMAPT
SCHEMBL30629082 0.81 OPRM1 (0.34) ALDH1A1GAAMAPT
SCHEMBL26109227 0.80 OPRM1 (0.34)
SCHEMBL26109313 0.79 S1PR1 (0.30)

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-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed