SCHEMBL30688366

SCHEMBL30688366

N#Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
BLM P54132 2/20 0.58
PMP22 Q01453 2/20 0.58
MPO P05164 1/20 0.58
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL19897940 1.00 KMT2A (0.58) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL19897942 1.00 KMT2A (0.58) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL18029006 0.87 KMT2A (0.58) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL18029332 0.87 KMT2A (0.58) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL24328916 0.86 SMN1; SMN2 (0.57) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL2286478 0.84 SCN9A (0.48) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL2286482 0.84 SCN9A (0.48) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL24328254 0.82 NR3C2 (0.47) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL18029267 0.81 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL1460641 0.81 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA

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-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed