SCHEMBL28678389

SCHEMBL28678389

O=C(O)C(=Cc1cccs1)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 6/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28688374 0.84 MAPT (0.56) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL22505223 0.84 MAPT (0.56) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL24534706 0.81 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL28677401 0.81 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL22500016 0.80 MAPT (0.48) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL22500014 0.80 MAPT (0.48) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL22500165 0.80 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL22500167 0.80 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL24534715 0.79 PLK1 (0.51) MAPTALDH1A1L3MBTL1KMT2AUSP2
SCHEMBL28671321 0.79 PLK1 (0.51) MAPTALDH1A1L3MBTL1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO disclosed
CN-113905734-A Novel compound and composition for preventing or treating respiratory diseases comprising the same as active ingredient 延世大学校产学协力团 2022-01-07 CN disclosed