SCHEMBL7485751

SCHEMBL7485751

N[C@@H](Cc1c[nH]c2sccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
BLM P54132 3/20 0.57
PMP22 Q01453 3/20 0.57
MEN1 O00255 3/20 0.57
TSHR P16473 2/20 0.57
HIF1A Q16665 2/20 0.57
MPO P05164 1/20 0.57
CYP3A4 P08684 3/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
NFKB1 P19838 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTR1A P08908 1/20 0.53

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
SCHEMBL7486884 0.77 MAPT (0.47) KMT2AKDM4EMAPTLMNABLM
SCHEMBL7493307 0.77 KMT2A (0.57) KMT2AKDM4EMAPTLMNABLM
SCHEMBL7279238 0.77 KMT2A (0.57) KMT2AKDM4EMAPTLMNABLM
SCHEMBL398693 0.76 HTR2A (0.51) KMT2AKDM4EMAPTLMNAPMP22
SCHEMBL1991168 0.75 HTR2A (0.50) MPOHTR2AHTR2CHTR2BNPSR1
SCHEMBL23752414 0.73 MAPT (0.57) KMT2AKDM4EMAPTLMNABLM
SCHEMBL4323144 0.73 MAPT (0.57) KMT2AKDM4EMAPTLMNABLM
SCHEMBL22775365 0.73 KDM4E (0.46) KMT2AKDM4EMAPTLMNABLM
Dl-Tryptophan SCHEMBL475349 0.73 KMT2A (1.00) KMT2AKDM4EMAPTLMNABLM
Dl-Tryptophan SCHEMBL19161120 0.73 KMT2A (1.00) KMT2AKDM4EMAPTLMNABLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219603-A2 Tryptophan analogs in proteins, peptides and peptidic structures Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-07-03 EP claimed
EP-1219603-A2 Tryptophan analogs in proteins, peptides and peptidic structures Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-07-03 EP disclosed