SCHEMBL7816613

SCHEMBL7816613

CN(C)CCNc1ccc2c3c(nn2C)-c2c[n+]([O-])ccc2C(=O)c13

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 2/20 0.38
EHMT2 Q96KQ7 5/20 0.38
TOP2A P11388 1/20 0.35
KAT2B Q92831 3/20 0.35
MALT1 Q9UDY8 1/20 0.35
MAPK13 O15264 1/20 0.35
EIF2AK2 P19525 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
NQO2 P16083 5/20 0.33
NQO1 P15559 3/20 0.33
MITF O75030 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
SCHEMBL7818744 0.96 TOP2B (0.36) TOP2BEHMT2TOP2AKAT2BMAPK13
Maleic Acid SCHEMBL7823996 0.93 ECE1 (0.38) TOP2BEHMT2TOP2AKAT2BMALT1
Fumaric Acid SCHEMBL7824000 0.93 ECE1 (0.38) TOP2BEHMT2TOP2AKAT2BMALT1
SCHEMBL7808632 0.92 TOP2A (0.41) TOP2BEHMT2TOP2AMALT1
SCHEMBL7809534 0.89 TOP2A (0.40) TOP2BEHMT2TOP2AKAT2BMALT1
SCHEMBL7809384 0.88 TOP2A (0.41) TOP2BEHMT2TOP2ANQO2
SCHEMBL7819388 0.85 TOP2A (0.40) TOP2BEHMT2TOP2AKAT2BNQO2
SCHEMBL7817084 0.84 TOP2A (0.41) TOP2BEHMT2TOP2ANQO2NQO1
SCHEMBL7816908 0.82 TOP2A (0.38) TOP2BEHMT2TOP2AMALT1
SCHEMBL8542449 0.82 TOP2B (0.49) TOP2BEHMT2TOP2AMALT1NQO1

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