SCHEMBL8699000

SCHEMBL8699000

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 10/20 0.62
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOA P21397 1/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45

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
SCHEMBL8699004 1.00 TERT (0.62) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8702872 0.96 TERT (0.61) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8700041 0.90 TERT (0.51) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8700046 0.90 TERT (0.51) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8699346 0.83 SLC1A3 (0.47) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8703721 0.82 TERT (0.58) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8703814 0.81 TERT (0.44) TERTSLC1A3SLC1A2SLC1A1
SCHEMBL8703823 0.81 TERT (0.44) TERTSLC1A3SLC1A2SLC1A1
SCHEMBL9819627 0.81 ALDH1A1 (0.51) TERTMEN1NPC1ALDH1A1MAPT
SCHEMBL8704202 0.80 HDAC8 (0.47) TERTMEN1NPC1ALDH1A1MAPT

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