SCHEMBL7818947

SCHEMBL7818947

CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1cncc(O)c1-2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.44
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
BRCA1 P38398 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NQO1 P15559 3/20 0.31
NQO2 P16083 2/20 0.31
MITF O75030 1/20 0.31
SMARCA2 P51531 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7809103 0.94 TOP2A (0.46) TOP2ABRCA1SMN1; SMN2HIF1ANQO1
SCHEMBL7809335 0.93 TOP2A (0.44) TOP2AECE1MUS81BRCA1SMN1; SMN2
SCHEMBL7810019 0.91 TOP2A (0.45) TOP2AECE1MUS81BRCA1SMN1; SMN2
SCHEMBL7819629 0.91 TOP2A (0.48) TOP2AECE1MUS81
SCHEMBL8795843 0.86 TOP2A (0.52) TOP2ANQO1NQO2MITFSMARCA2
SCHEMBL10805685 0.86 TOP2A (0.49) TOP2ABRCA1SMN1; SMN2HIF1ANQO1
SCHEMBL7804602 0.85 ECE1 (0.47) TOP2AECE1MUS81
SCHEMBL7804809 0.85 ECE1 (0.47) TOP2AECE1MUS81SMN1; SMN2
SCHEMBL7808985 0.85 TOP2A (0.40) TOP2ABRCA1SMN1; SMN2HIF1ANQO1
SCHEMBL7821158 0.81 TOP2A (0.35) TOP2AECE1MUS81SMN1; SMN2NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed