SCHEMBL30754644

SCHEMBL30754644

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CBr)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.58
GAA P10253 1/20 0.58
GPR183 P32249 2/20 0.55
HSD11B1 P28845 7/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MDM2 Q00987 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.51

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
SCHEMBL752526 0.88 POLB (0.62) POLBLMNAGAAGPR183HSD11B1
SCHEMBL28819237 0.86 YAP1 (0.65) POLBLMNAGAAGPR183HSD11B1
SCHEMBL751755 0.84 NPC1 (0.74) POLBLMNAGAAGPR183HSD11B1
SCHEMBL751873 0.84 POLB (0.58) POLBLMNAGAAGPR183HSD11B1
SCHEMBL751874 0.83 POLB (0.60) POLBLMNAGAAGPR183HSD11B1
SCHEMBL12169384 0.83 LMNA (0.65) POLBLMNAGAAGPR183HSD11B1
SCHEMBL732936 0.82 GAA (0.76) POLBLMNAGAAGPR183HSD11B1
SCHEMBL30754624 0.82 ALDH1A1 (0.69) LMNAGAAGPR183ALDH1A1
SCHEMBL752834 0.82 LMNA (0.63) POLBLMNAGAAGPR183HSD11B1
SCHEMBL30754632 0.81 ALDH1A1 (0.68) LMNAGAAKMT2AALDH1A1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720528-A Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof 贵州大学 2024-03-19 CN disclosed