SCHEMBL8699346

SCHEMBL8699346

N[C@@H](Cc1ccccc1)C(=O)NCCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
TERT O14746 5/20 0.47
HDAC8 Q9BY41 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL8704202 0.97 HDAC8 (0.47) SLC1A3SLC1A2SLC1A1TERTHDAC8
SCHEMBL8703814 0.92 TERT (0.44) SLC1A3SLC1A2SLC1A1TERTHDAC8
SCHEMBL8703823 0.92 TERT (0.44) SLC1A3SLC1A2SLC1A1TERTHDAC8
SCHEMBL8703139 0.90 REN (0.50)
SCHEMBL8699004 0.83 TERT (0.62) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL8699000 0.83 TERT (0.62) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL8700041 0.81 TERT (0.51) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL8699349 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL8700046 0.81 TERT (0.51) SLC1A3SLC1A2SLC1A1TERTMEN1
SCHEMBL9113781 0.81 ALPI (0.59) HDAC8

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
US-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 US disclosed