SCHEMBL23280321

SCHEMBL23280321

C=CC(=O)NCc1ncccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.50
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F13A1 P00488 1/20 0.36
LMNA P02545 1/20 0.36
TGM1 P22735 1/20 0.36
TGM3 Q08188 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL26910352 0.80 NPSR1 (0.46) KMT2AMEN1HPGDMAPTRAB9A
SCHEMBL25218588 0.75 KMT2A (0.46) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL25290405 0.73 SLC40A1 (0.40) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL30448897 0.73 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL10193856 0.73 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL18489422 0.73 TGM2 (0.46) TGM2F13A1LMNATGM1TGM3
SCHEMBL1870660 0.72 KMT2A (0.52) ALDH1A1KMT2AMEN1HPGDRAB9A
SCHEMBL657873 0.72 ADH1B (0.41) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL25600288 0.72 NAMPT (0.44) TGM2ALDH1A1MAPK1LMNAPTPN1
SCHEMBL25304631 0.71 EGLN1 (0.51) ALDH1A1KMT2AKDM4EMEN1HPGD

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
EP-3341370-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 EP disclosed