SCHEMBL7811019

SCHEMBL7811019

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.40
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
TOP2B Q02880 2/20 0.36
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
DNMT1 P26358 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UHRF1 Q96T88 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TERT O14746 1/20 0.34
NQO2 P16083 3/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
EHMT2 Q96KQ7 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
SCHEMBL7810513 0.94 TOP2A (0.43) TOP2AECE1MUS81EHMT2
SCHEMBL7818573 0.91 ECE1 (0.44) TOP2AECE1MUS81TOP2BNPC1
SCHEMBL7817250 0.90 TOP2A (0.44) TOP2AECE1MUS81TOP2BPOLB
SCHEMBL7804758 0.90 TOP2A (0.43) TOP2AECE1MUS81EHMT2
SCHEMBL7804602 0.89 ECE1 (0.47) TOP2AECE1MUS81EHMT2
SCHEMBL7808820 0.89 TOP2A (0.43) TOP2AECE1MUS81EHMT2
SCHEMBL7816352 0.89 TOP2A (0.49) TOP2AECE1MUS81TOP2BSMN1; SMN2
SCHEMBL7818082 0.88 TOP2A (0.42) TOP2AECE1MUS81EHMT2
SCHEMBL7810464 0.88 TOP2A (0.42) TOP2AECE1MUS81POLBKMT2A
SCHEMBL7810327 0.87 ECE1 (0.43) TOP2AECE1MUS81TOP2BEHMT2

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 4 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
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