SCHEMBL7809335

SCHEMBL7809335

CN(C)CCNc1ccc2c3c(nn2CCN)-c2c(O)cncc2C(=O)c13

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.44
NQO2 P16083 2/20 0.34
NQO1 P15559 2/20 0.34
ECE1 P42892 1/20 0.34
MUS81 Q96NY9 1/20 0.34
MITF O75030 1/20 0.34
SMARCA2 P51531 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
EHMT2 Q96KQ7 3/20 0.33
BRCA1 P38398 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
KAT2B Q92831 1/20 0.33
TOP2B Q02880 1/20 0.33
TOP1 P11387 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
SCHEMBL7810019 0.95 TOP2A (0.45) TOP2ANQO2NQO1ECE1MUS81
SCHEMBL7809103 0.94 TOP2A (0.46) TOP2ANQO2NQO1MITFSMARCA2
SCHEMBL7818947 0.93 TOP2A (0.44) TOP2ANQO2NQO1ECE1MUS81
SCHEMBL7819629 0.91 TOP2A (0.48) TOP2AECE1MUS81
SCHEMBL7808985 0.89 TOP2A (0.40) TOP2ANQO2NQO1MITFSMARCA2
SCHEMBL8795843 0.86 TOP2A (0.52) TOP2ANQO2NQO1MITFSMARCA2
SCHEMBL7810327 0.85 ECE1 (0.43) TOP2AECE1MUS81EHMT2KAT2B
SCHEMBL7810135 0.84 TOP2A (0.43) TOP2ANQO2NQO1MITFEHMT2
SCHEMBL8796279 0.81 TOP2A (0.46) TOP2ANQO2NQO1MITFSMARCA2
SCHEMBL10801133 0.81 TOP2A (0.55) TOP2ANQO2NQO1MITFSMARCA2

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 7 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
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