SCHEMBL7665437

SCHEMBL7665437

CCOC(=O)c1cc2c([N+](=O)[O-])ccc(Cl)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.43
FBP1 P09467 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
VCAM1 P19320 1/20 0.42

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
SCHEMBL7665395 0.90 FBP1 (0.53) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL8325034 0.84 CDK1 (0.63) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL28459965 0.83 CDK1 (0.46) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL1653140 0.82 FBP1 (0.49) CDK1CCNB1KMT2AMEN1ALDH1A1
SCHEMBL1653459 0.81 FBP1 (0.48) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL28467727 0.81 CDK1 (0.43) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL26844267 0.81 FBP1 (0.47) CDK1CCNB1KMT2AMEN1ALDH1A1
SCHEMBL1775446 0.80 ALOX15 (0.48) CDK1CCNB1KMT2AMEN1ALOX15
SCHEMBL28458060 0.80 FBP1 (0.58) KMT2AMEN1FBP1
SCHEMBL22042078 0.80 CDK1 (0.58) CDK1CCNB1KMT2AMEN1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352958-B1 PRE- AND POST-EMERGENCE HERBICIDES FMC CORPORATION 2002-03-05 US disclosed
US-6077812-A 4-OR 7-(2,6-DI(OXO),3-SUBSTITUTED, 4-TRIFLUOROMETHYL-1,2,3, 6-TETRAHYDROPYRIMIDIN-1-YL)BENZIMIDAZOLES; CONTROLLING WEEDS FMC CORPORATION (US) 2000-06-20 US disclosed
EP-0968207-A1 CYCLOIMIDO-SUBSTITUTED BENZOFUSED HETEROCYCLIC HERBICIDES FMC CORPORATION (US) 2000-01-05 EP disclosed
WO-1998038188-A1 CYCLOIMIDO-SUBSTITUTED BENZOFUSED HETEROCYCLIC HERBICIDES FMC CORPORATION (US) 1998-09-03 WO disclosed