SCHEMBL9219355

SCHEMBL9219355

NC(=O)N1C(=O)C(=C(O)c2sccc2Br)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALDH3A1 P30838 3/20 0.33
ALDH2 P05091 2/20 0.33
ACLY P53396 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
BCAT2 O15382 1/20 0.32

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
SCHEMBL9215467 0.81 ALDH1A1 (0.36) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1
Tenidap SCHEMBL3751880 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1CYP1A2
Tenidap SCHEMBL3751878 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1CYP1A2
Tenidap SCHEMBL24922 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1CYP1A2
SCHEMBL9219844 0.80 GSK3B (0.35) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1
SCHEMBL9214216 0.80 NPC1 (0.37) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1
SCHEMBL9217917 0.76 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH2HSP90AA1HTT
SCHEMBL3676246 0.76 ALDH1A1 (0.33) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1
Tenidap SCHEMBL9216494 0.76 ALDH1A1 (0.33) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1
SCHEMBL9219092 0.74 ALDH3A1 (0.33) ALDH1A1ALDH3A1ALDH2MITFHSP90AA1

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