SCHEMBL28473836

SCHEMBL28473836

N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 2/20 0.64
PMP22 Q01453 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
HTR2C P28335 1/20 0.64
SLC6A4 P31645 1/20 0.64
HTR7 P34969 1/20 0.64
HTR2B P41595 1/20 0.64
MTOR P42345 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL28473837 1.00 HTR2A (0.64) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL29403355 0.93 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL21309683 0.93 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL30405928 0.93 KMT2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL454983 0.93 KMT2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL195273 0.93 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL19871231 0.93 KMT2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL307776 0.93 KMT2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL31642414 0.93 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL29382361 0.93 KMT2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT

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-111936157-A Fibroblast growth factor analogs and uses thereof 佛罗里达大学研究基金会 2020-11-13 CN disclosed