SCHEMBL13628941

SCHEMBL13628941

COC(=O)/C=C(\C)Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 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
SCHEMBL3737335 1.00 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3737334 1.00 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11345591 0.94 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL11568552 0.86 NPC1 (0.66) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12264384 0.86 SMN1; SMN2 (0.62) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2547131 0.86 SMN1; SMN2 (0.62) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20291763 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18548859 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15164801 0.85 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10862595 0.83 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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
US-7612080-B2 GTPase inhibitors and use thereof for controlling platelet hyperactivity CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-11-03 US disclosed
US-7517890-B2 GTPase inhibitors and methods of use CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-04-14 US disclosed