SCHEMBL10949850

SCHEMBL10949850

CCOC(=O)c1c2c(c3n1CCC3)C(=O)C=C(C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ PDE3B Q13370 8/20 0.41
▸ PDE3A Q14432 8/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALOX15 P16050 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL10952722 0.95 MAPK1 (0.44) MAPK1ALDH1A1GAATSHRUBE2N
SCHEMBL10949738 0.76 MAPK1 (0.39) MAPK1ALDH1A1GAAPOLBALOX15
SCHEMBL10954844 0.73 MAPK1 (0.39) MAPK1ALDH1A1GAAPOLBALOX15
SCHEMBL10951025 0.70 TSHR (0.45) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL6485138 0.70 PTGES (0.58) ALDH1A1PDE3BPDE3APOLBHPGD
SCHEMBL6483250 0.70 PTGES (0.58) ALDH1A1PDE3BPDE3APOLBHPGD
SCHEMBL6478277 0.69 CHRNA7 (0.55) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL6487769 0.69 CHRNA7 (0.55) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL10957000 0.68 KMT2A (0.45) MAPK1ALDH1A1GAAPOLBMEN1
SCHEMBL34474846 0.68 CYP2D6 (0.39) MAPK1ALDH1A1GAAPDE3BPDE3A

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-4494547-A 2H-isoindolediones, their synthesis and use as radiosensitizers NORTH CAROLINA CENTRAL UNIVERSITY (US) 1985-01-22 — — US disclosed
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