SCHEMBL9388108

SCHEMBL9388108

CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cncc(O)c1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 2/20 0.44
BRCA1 P38398 1/20 0.44
TOP2B Q02880 4/20 0.43
CYP19A1 P11511 1/20 0.42
MEN1 O00255 3/20 0.40
BLM P54132 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TOP2A P11388 2/20 0.40
NPC1 O15118 2/20 0.40
MTOR P42345 2/20 0.40
RAB9A P51151 2/20 0.40
NSD2 O96028 2/20 0.40

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
SCHEMBL9393133 0.88 TERT (0.48) NQO1SMN1; SMN2HIF1ATOP2BCYP19A1
SCHEMBL9389590 0.84 MEN1 (0.45) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL9388057 0.83 ECE1 (0.52) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL9389584 0.82 TOP2B (0.42) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL9389547 0.82 KMT2A (0.49) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL7808985 0.81 TOP2A (0.40) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL8796279 0.81 TOP2A (0.46) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL11277491 0.81 CYP19A1 (0.62) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL3418071 0.81 CYP19A1 (0.62) NQO1SMN1; SMN2HIF1ABRCA1TOP2B
SCHEMBL30513721 0.81 CYP19A1 (0.62) NQO1SMN1; SMN2HIF1ABRCA1TOP2B

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
WO-1994005641-A1 4-SUBSTITUTED 6,9,-BIS (SUBSTITUTED-AMINO) BENZO [g] ISOQUINOLINE-5,10,DIONES THE UNIVERSITY OF VERMONT (US) 1994-03-17 WO claimed
WO-1994005641-A1 4-SUBSTITUTED 6,9,-BIS (SUBSTITUTED-AMINO) BENZO [g] ISOQUINOLINE-5,10,DIONES THE UNIVERSITY OF VERMONT (US) 1994-03-17 WO disclosed