SCHEMBL7809534

SCHEMBL7809534

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.40
TOP2B Q02880 2/20 0.35
EHMT2 Q96KQ7 5/20 0.35
KAT2B Q92831 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL7819388 0.96 TOP2A (0.40) TOP2ATOP2BEHMT2KAT2BNQO2
SCHEMBL7817084 0.95 TOP2A (0.41) TOP2ATOP2BEHMT2NQO2
SCHEMBL7808632 0.94 TOP2A (0.41) TOP2ATOP2BEHMT2MALT1
SCHEMBL7810117 0.91 TOP2A (0.43) TOP2A
SCHEMBL7809384 0.90 TOP2A (0.41) TOP2ATOP2BEHMT2NQO2
SCHEMBL7816613 0.89 TOP2B (0.38) TOP2ATOP2BEHMT2KAT2BMALT1
SCHEMBL7818744 0.85 TOP2B (0.36) TOP2ATOP2BEHMT2KAT2BNQO2
SCHEMBL7816908 0.84 TOP2A (0.38) TOP2ATOP2BEHMT2MALT1
SCHEMBL7810135 0.83 TOP2A (0.43) TOP2AEHMT2KAT2BNQO2
SCHEMBL7810327 0.83 ECE1 (0.43) TOP2ATOP2BEHMT2KAT2BMALT1

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