SCHEMBL7808632

SCHEMBL7808632

CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2c[n+]([O-])ccc2C(=O)c13

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.41
TOP2B Q02880 2/20 0.37
EHMT2 Q96KQ7 5/20 0.36
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL7809384 0.96 TOP2A (0.41) TOP2ATOP2BEHMT2
SCHEMBL7809534 0.94 TOP2A (0.40) TOP2ATOP2BEHMT2MALT1
SCHEMBL7816613 0.92 TOP2B (0.38) TOP2ATOP2BEHMT2MALT1
SCHEMBL7819388 0.90 TOP2A (0.40) TOP2ATOP2BEHMT2
SCHEMBL7817084 0.89 TOP2A (0.41) TOP2ATOP2BEHMT2
SCHEMBL7818744 0.88 TOP2B (0.36) TOP2ATOP2BEHMT2
SCHEMBL7816908 0.86 TOP2A (0.38) TOP2ATOP2BEHMT2MALT1
Fumaric Acid SCHEMBL7824000 0.85 ECE1 (0.38) TOP2ATOP2BEHMT2MALT1
Maleic Acid SCHEMBL7823996 0.85 ECE1 (0.38) TOP2ATOP2BEHMT2MALT1
SCHEMBL7810117 0.84 TOP2A (0.43) TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP claimed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US claimed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP claimed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO claimed
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed