SCHEMBL11068602

SCHEMBL11068602

CCCCCN1C(=O)c2cccc(I)c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ALDH2 P05091 1/20 0.54
ALDH3A1 P30838 1/20 0.54
CDC25A P30304 11/20 0.52
CES1 P23141 2/20 0.52
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PABPC1 P11940 1/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL9425173 0.83 ALDH1A1 (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL4959465 0.82 ANPEP (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL11548626 0.82 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL1501455 0.82 DRD2 (0.50) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL2890361 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL19351938 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL10451019 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL11548699 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL10451374 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL14560523 0.81 CDC25A (0.51) ALDH1A1ALDH2ALDH3A1CDC25ACES1

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
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US disclosed