SCHEMBL9129491

SCHEMBL9129491

CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2c(O)ccc(O)c2C(=O)c13

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.52
NQO1 P15559 4/20 0.42
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HIF1A Q16665 2/20 0.39
NPC1 O15118 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
CACNA1F O60840 1/20 0.39
SLC22A3 O75751 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL10800468 0.94 TOP2A (0.55) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10805685 0.93 TOP2A (0.49) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10805037 0.91 TOP2A (0.50) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10801676 0.90 TOP2A (0.66) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10804138 0.90 TOP2A (0.66) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL9127738 0.88 TOP2A (0.50) TOP2ACYP19A1SMN1; SMN2MEN1USP2
SCHEMBL10801133 0.88 TOP2A (0.55) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10800278 0.87 TOP2A (0.48) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10801716 0.87 TOP2A (0.54) TOP2ANQO1CYP19A1SMN1; SMN2MEN1
SCHEMBL10818789 0.87 TOP2A (0.69) TOP2ANQO1CYP19A1SMN1; SMN2MEN1

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
US-5447950-A Anthra[1,9-c,d]pyrazol-6-(2H)-ones useful for treating anaerobic bacterial infections BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-09-05 US disclosed
EP-0579647-A1 ANTI-CANCER COUMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1994-01-26 EP disclosed
WO-1992018485-A1 ANTI-CANCER COUMPOUNDS BRITISH TECHNOLOGY GROUP LTD. (GB) 1992-10-29 WO disclosed