SCHEMBL7553405

SCHEMBL7553405

NNC(=O)c1cc(NC(=O)c2ccccc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
PKM P14618 1/20 0.61
ALOX15 P16050 1/20 0.57
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
SIRT6 Q8N6T7 2/20 0.52
HDAC3 O15379 1/20 0.52
EGFR P00533 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL1129948 0.86 KMT2A (0.77) KMT2APKMALOX15KCNK3KCNK9
SCHEMBL6346820 0.84 KMT2A (0.65) KMT2APKMALOX15KCNK3KCNK9
SCHEMBL4247707 0.81 NPC1 (0.68) KMT2APKMKCNK3KCNK9NPC1
SCHEMBL4241801 0.81 NPC1 (0.68) KMT2APKMKCNK3KCNK9NPC1
SCHEMBL11793228 0.80 KMT2A (0.73) KMT2APKMALOX15KCNK3KCNK9
SCHEMBL11202607 0.80 KMT2A (0.62) KMT2APKMALOX15KCNK3KCNK9
SCHEMBL11204834 0.80 POLB (0.54) KMT2APKMNPC1RAB9AMEN1
SCHEMBL2831786 0.79 NPC1 (0.72) KMT2ANPC1RAB9AMEN1MAPT
Hydrochloric Acid SCHEMBL11197738 0.78 KMT2A (0.60) KMT2APKMALOX15KCNK3KCNK9
SCHEMBL131786 0.78 P2RX1 (0.74) KMT2ANPC1RAB9AMEN1TMPRSS4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002060373-A2 INDOLE DERIVATIVES AND THEIR USES AS HEPARANASE INHIBITORS INSIGHT STRATEGY AND MARKETING LTD (IL) 2002-08-08 WO disclosed