SCHEMBL28734072

SCHEMBL28734072

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1ccsc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
ECE1 P42892 1/20 0.52
HTR2A P28223 2/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1E P28566 1/20 0.50

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
SCHEMBL31373413 0.84 MAPT (0.76) KDM4EMAPTMEN1LMNAMPO
SCHEMBL27447511 0.80 KDM4E (0.65) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL525100 0.79 KDM4E (0.84) KDM4EMAPTMEN1LMNAMPO
SCHEMBL14217040 0.78 KDM4E (0.74) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL23141133 0.77 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL475350 0.77 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL475349 0.77 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL19161120 0.77 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2726806 0.77 KDM4E (0.78) KDM4EMAPTMEN1LMNAMPO
SCHEMBL8403647 0.77 KDM4E (0.78) KDM4EMAPTMEN1LMNAMPO

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
CN-110408008-B Application of zwitterion conjugated polyelectrolyte with amino acid group and having hole transport performance 南京工业大学 2022-03-18 CN disclosed