SCHEMBL9219092

SCHEMBL9219092

NC(=O)N1C(=O)C(=C(O)c2ccc(I)s2)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 6/20 0.33
ALDH1A1 P00352 6/20 0.33
ALDH2 P05091 2/20 0.33
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
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PABPC1 P11940 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 1/20 0.31
APAF1 O14727 1/20 0.31
G6PD P11413 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 0.87 NPC1 (0.37) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
Tenidap SCHEMBL24922 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1KDM4E
Tenidap SCHEMBL3751880 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1KDM4E
Tenidap SCHEMBL3751878 0.81 MEN1 (0.42) ALDH1A1HSP90AA1HTTNPSR1KDM4E
SCHEMBL9219844 0.81 GSK3B (0.35) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
SCHEMBL9215467 0.80 ALDH1A1 (0.36) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
Tenidap SCHEMBL9216494 0.79 ALDH1A1 (0.33) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
SCHEMBL3676246 0.79 ALDH1A1 (0.33) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
SCHEMBL9219355 0.74 GRM1 (0.34) ALDH3A1ALDH1A1ALDH2MITFHSP90AA1
SCHEMBL9217917 0.73 ALDH1A1 (0.41) ALDH3A1ALDH1A1ALDH2HSP90AA1HTT

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