SCHEMBL31661243

SCHEMBL31661243

Cc1nc2[nH]ccn2c1C(=O)CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 5/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 3/20 0.33
GAA P10253 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC27A1 Q6PCB7 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL12012125 0.72 MAPK1 (0.62) MAPK1CYP1A2
Bromide SCHEMBL2334813 0.71 MAPK1 (0.61) MAPK1CYP1A2
SCHEMBL197826 0.71 KMT2A (0.68) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
Bromide SCHEMBL21996101 0.70 KMT2A (0.66) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
SCHEMBL1684384 0.70 ALDH1A1 (0.64) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
SCHEMBL6113039 0.70 POLB (0.64) SMN1; SMN2HTTALDH1A1POLBKMT2A
Bromide SCHEMBL2337105 0.69 ALDH1A1 (0.63) SMN1; SMN2HTTALDH1A1POLBKMT2A
SCHEMBL6533377 0.66 POLB (0.47) SMN1; SMN2HTTALDH1A1POLBKMT2A
SCHEMBL6115382 0.66 GSK3B (0.34) ALDH1A1KMT2AKDM4EGSK3BMAPT
SCHEMBL6112856 0.66 ALDH1A1 (0.67) SMN1; SMN2HTTALDH1A1POLBKMT2A

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
WO-2025151517-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS ASSOCIATED WITH MISSFOLDING OF ALPHA-SYNUCLEIN PROTEIN WAVEBREAK THERAPEUTICS LIMITED (US) 2025-07-17 WO disclosed