SCHEMBL7810019

SCHEMBL7810019

CN(C)CCCNc1ccc2c3c(nn2CCN)-c2c(O)cncc2C(=O)c13

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
BRCA1 P38398 1/20 0.40
HIF1A Q16665 1/20 0.40
TOP2B Q02880 2/20 0.34
ECE1 P42892 1/20 0.33
MUS81 Q96NY9 1/20 0.33
NQO2 P16083 1/20 0.33
NQO1 P15559 1/20 0.32
BPTF Q12830 1/20 0.32
CYP19A1 P11511 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
SCHEMBL7809335 0.95 TOP2A (0.44) TOP2ASMN1; SMN2BRCA1HIF1ATOP2B
SCHEMBL7818947 0.91 TOP2A (0.44) TOP2ASMN1; SMN2BRCA1HIF1AECE1
SCHEMBL7819629 0.89 TOP2A (0.48) TOP2AECE1MUS81
SCHEMBL7809103 0.88 TOP2A (0.46) TOP2ASMN1; SMN2BRCA1HIF1ATOP2B
SCHEMBL7808985 0.84 TOP2A (0.40) TOP2ASMN1; SMN2BRCA1HIF1ATOP2B
SCHEMBL8795843 0.81 TOP2A (0.52) TOP2ATOP2BNQO2NQO1
SCHEMBL7810327 0.80 ECE1 (0.43) TOP2ATOP2BECE1MUS81
SCHEMBL10805068 0.80 TOP2A (0.49) TOP2ASMN1; SMN2BRCA1HIF1ATOP2B
SCHEMBL10800278 0.79 TOP2A (0.48) TOP2ASMN1; SMN2BRCA1HIF1ATOP2B
SCHEMBL10805037 0.79 TOP2A (0.50) TOP2ASMN1; SMN2BRCA1HIF1ANQO2

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 2 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
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO claimed