SCHEMBL9215467

SCHEMBL9215467

NC(=O)N1C(=O)C(=C(O)c2cc(Br)cs2)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALDH3A1 P30838 5/20 0.33
ALDH2 P05091 3/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 2/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ALAD P13716 1/20 0.32
KDR P35968 1/20 0.31
APAF1 O14727 1/20 0.31
KDM4E B2RXH2 1/20 0.31
UCHL1 P09936 1/20 0.31
UCHL3 P15374 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL9214216 0.85 NPC1 (0.37) ALDH1A1CES2CES1ALDH3A1ALDH2
Tenidap SCHEMBL3751878 0.84 MEN1 (0.42) ALDH1A1LMNAHTTHSP90AA1NPSR1
Tenidap SCHEMBL3751880 0.84 MEN1 (0.42) ALDH1A1LMNAHTTHSP90AA1NPSR1
Tenidap SCHEMBL24922 0.84 MEN1 (0.42) ALDH1A1LMNAHTTHSP90AA1NPSR1
SCHEMBL9219844 0.83 GSK3B (0.35) ALDH1A1LMNAALDH3A1ALDH2GSK3B
Tenidap SCHEMBL9216494 0.81 ALDH1A1 (0.33) ALDH1A1ALDH3A1ALDH2HTTMITF
SCHEMBL3676246 0.81 ALDH1A1 (0.33) ALDH1A1ALDH3A1ALDH2HTTMITF
SCHEMBL9219355 0.81 GRM1 (0.34) ALDH1A1ALDH3A1ALDH2HTTMITF
SCHEMBL9219092 0.80 ALDH3A1 (0.33) ALDH1A1ALDH3A1ALDH2HTTMITF
SCHEMBL9217917 0.77 ALDH1A1 (0.41) ALDH1A1LMNAALDH3A1ALDH2HTT

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
EP-0421749-B1 3-Aroyl-2-oxindole-1-carboxamides PFIZER (US) 1995-12-13 EP disclosed
US-5059693-A REDUCTIVE DEHALOGENATION PFIZER INC. (US) 1991-10-22 US disclosed
EP-0421749-A2 3-Aroyl-2-oxindole-1-carboxamides PFIZER INC. (US) 1991-04-10 EP disclosed