SCHEMBL10570992

SCHEMBL10570992

O=C1CC(CI)C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
HSP90AA1 P07900 2/20 0.55
ALDH1A1 P00352 7/20 0.49
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.48
MT-CO2 P00403 1/20 0.46
ALOX5 P09917 1/20 0.46
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10569834 0.87 POLB (0.60) POLBHSP90AA1ALDH1A1GAAATM
SCHEMBL10566863 0.85 POLB (0.59) POLBHSP90AA1ALDH1A1GAAATM
SCHEMBL10569082 0.85 MT-CO2 (0.47) POLBALDH1A1MT-CO2ALOX5L3MBTL1
SCHEMBL10572109 0.85 POLB (0.59) POLBHSP90AA1ALDH1A1GAAATM
SCHEMBL10570458 0.84 MT-CO2 (0.52) ALDH1A1GAAMT-CO2ALOX5SMN1; SMN2
SCHEMBL10568192 0.84 ALDH1A1 (0.60) POLBALDH1A1GAAMT-CO2ALOX5
SCHEMBL10570366 0.84 ALDH1A1 (0.52) POLBHSP90AA1ALDH1A1GAAMT-CO2
SCHEMBL10567917 0.83 MT-CO2 (0.63) POLBALDH1A1GAAMT-CO2ALOX5
SCHEMBL10569456 0.80 POLB (0.47) POLBALDH1A1MT-CO2ALOX5L3MBTL1
SCHEMBL10567104 0.80 SLC6A2 (0.45) POLBALDH1A1MT-CO2ALOX5L3MBTL1

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-4847285-A 1-substituted phenyl-3-substituted methyl-pyrrolidine-2,5-diones and plant fungicide compositions containing same THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed