SCHEMBL7819664

SCHEMBL7819664

COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)c21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.64
CDK2 P24941 20/20 0.64
CCNE2 O96020 1/20 0.57

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
SCHEMBL7819667 1.00 CCNE1 (0.64) CCNE1CDK2CCNE2
SCHEMBL7828450 0.90 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL7828446 0.90 CCNE1 (0.65) CCNE1CDK2CCNE2
SCHEMBL7828186 0.87 CCNE1 (0.61) CCNE1CDK2CCNE2
SCHEMBL7828187 0.87 CCNE1 (0.61) CCNE1CDK2CCNE2
SCHEMBL6972887 0.86 CCNE1 (0.69) CCNE1CDK2CCNE2
SCHEMBL6968207 0.86 CCNE1 (0.69) CCNE1CDK2CCNE2
SCHEMBL7830662 0.86 CCNE1 (0.58) CCNE1CDK2CCNE2
SCHEMBL7830664 0.86 CCNE1 (0.58) CCNE1CDK2CCNE2
SCHEMBL7819713 0.86 CCNE1 (0.60) CCNE1CDK2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed