SCHEMBL7765874

SCHEMBL7765874

NC1(O)C=CC=CC1C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
GFER P55789 2/20 0.40
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
CDK9 P50750 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
SCHEMBL5080048 0.82 TOP2A (0.43) TOP2ASLC22A12HDAC6F13A1TGM2
SCHEMBL27478753 0.82 TOP2A (0.43) TOP2ASLC22A12HDAC6F13A1TGM2
SCHEMBL6938598 0.76 L3MBTL1 (0.39) KMT2AMAPTSMN1; SMN2NPC1POLB
SCHEMBL27510144 0.74 MEN1 (0.45) TOP2ASLC22A12HDAC6HPGDMEN1
SCHEMBL1457083 0.73
SCHEMBL1413119 0.71 F13A1 (0.46) TOP2ASLC22A12HDAC6F13A1TGM2
SCHEMBL9320443 0.70 MAPT (0.41) F13A1TGM2MEN1KMT2AMAPT
SCHEMBL10339863 0.69 HPGD (0.46) TOP2ASLC22A12HDAC6F13A1TGM2
SCHEMBL2019602 0.69
SCHEMBL9322124 0.69 DDX3X (0.47) HDAC6HPGDMAPTSMN1; SMN2NPC1

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-1100484-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-05-23 EP disclosed
WO-2000003704-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-27 WO disclosed