SCHEMBL29437936

SCHEMBL29437936

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
MPO P05164 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
HIF1A Q16665 1/20 0.57
TACR1 P25103 3/20 0.48
ECE1 P42892 1/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.46
CTSC P53634 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL28734151 1.00 MAPT (0.57) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8968103 0.80 KDM4E (0.57) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8968843 0.80 TACR1 (0.68) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL20390111 0.80 KDM4E (0.70) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL12835419 0.80 KDM4E (0.70) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL28734072 0.79 KDM4E (0.62) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL9358841 0.78 TACR1 (0.71) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8885225 0.78 TACR1 (0.69) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8968784 0.78 KMT2A (0.54) MAPTKDM4EMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8968823 0.77 MAPT (0.60) MAPTKDM4EMEN1TSHRKMT2A

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