SCHEMBL6661545

SCHEMBL6661545

O=C1CC=CC=C1C(=O)c1cccc(C2CC=NO2)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
KMO O15229 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
SCHEMBL5836928 0.78 KMO (0.49) PARP1KMO
SCHEMBL6661439 0.78 PARP1 (0.35) PARP1KMO
SCHEMBL59663 0.70 ALDH1A1 (0.45)
SCHEMBL6661445 0.69 PARP1 (0.35) PARP1
SCHEMBL6678037 0.67 BRD4 (0.30)
SCHEMBL1960278 0.67 ELANE (0.46) PARP1
SCHEMBL9459241 0.65
SCHEMBL904393 0.62 TSHR (0.48)
SCHEMBL9848793 0.61 CES2 (0.48)
SCHEMBL11062641 0.60 KMT2A (0.47)

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-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP claimed
EP-1284969-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP claimed
WO-2001087856-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO claimed