SCHEMBL28520077

SCHEMBL28520077

O=C(/C=C/c1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1)c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L2 Q92843 8/20 0.73
▸ BCL2 P10415 5/20 0.73
▸ BAD Q92934 5/20 0.73
▸ MAPT P10636 7/20 0.68
▸ MME P08473 2/20 0.68
▸ POLB P06746 2/20 0.65
▸ PLA2G1B P04054 1/20 0.65
▸ ATG4B Q9Y4P1 1/20 0.65
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ CRHBP P24387 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MCL1 Q07820 1/20 0.60
▸ DUSP3 P51452 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ ADAMTS5 Q9UNA0 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56

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
SCHEMBL28520078 1.00 BCL2L2 (0.73) BCL2L2BCL2BADMAPTMME
SCHEMBL25198529 0.92 MAPT (0.77) BCL2L2BCL2BADMAPTMME
SCHEMBL25198530 0.92 MAPT (0.77) BCL2L2BCL2BADMAPTMME
SCHEMBL25265304 0.91 BCL2L2 (0.82) BCL2L2BCL2BADMAPTMME
SCHEMBL25198109 0.91 BCL2L2 (0.82) BCL2L2BCL2BADMAPTMME
SCHEMBL28511414 0.90 MAPT (0.68) BCL2L2BCL2BADMAPTMME
SCHEMBL28511417 0.90 MAPT (0.68) BCL2L2BCL2BADMAPTMME
SCHEMBL25200467 0.86 MME (0.73) BCL2L2BCL2BADMAPTMME
SCHEMBL25185088 0.86 MME (0.73) BCL2L2BCL2BADMAPTMME
SCHEMBL25188655 0.86 MAPT (0.82) BCL2L2BCL2BADMAPTMME

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-109528716-B Application of chalcone compound containing carboxymethyl rhodanine structure 延边大学 2021-02-02 — — CN disclosed
Send feedback