SCHEMBL7818573

SCHEMBL7818573

CCN(CC)CCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.44
MUS81 Q96NY9 1/20 0.44
TOP2A P11388 8/20 0.40
NQO2 P16083 6/20 0.35
TERT O14746 1/20 0.34
TOP2B Q02880 3/20 0.34
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
DNMT1 P26358 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UHRF1 Q96T88 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KAT2B Q92831 1/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL7811019 0.91 TOP2A (0.40) ECE1MUS81TOP2ANQO2TERT
SCHEMBL7810327 0.91 ECE1 (0.43) ECE1MUS81TOP2ATOP2BKAT2B
SCHEMBL7814297 0.89 ECE1 (0.49) ECE1MUS81TOP2ANPC1POLB
Hydrochloric Acid SCHEMBL7823890 0.88 ECE1 (0.48) ECE1MUS81TOP2ANPC1POLB
SCHEMBL7804859 0.87 TOP2A (0.44) ECE1MUS81TOP2ATERTPOLB
SCHEMBL7810404 0.87 TOP2A (0.46) ECE1MUS81TOP2ATOP2BPOLB
SCHEMBL7810277 0.86 TOP2A (0.42) ECE1MUS81TOP2A
SCHEMBL7804602 0.85 ECE1 (0.47) ECE1MUS81TOP2A
SCHEMBL7820225 0.85 ECE1 (0.49) ECE1MUS81TOP2ANPC1POLB
SCHEMBL7810513 0.84 TOP2A (0.43) ECE1MUS81TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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