SCHEMBL31661272

SCHEMBL31661272

CC(=O)c1c(C)nc2[nH]ccn12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.36
PKM P14618 2/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 2/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 3/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL31661243 0.80 SMN1; SMN2 (0.35) KMT2ACYP1A2MEN1ALDH1A1SMN1; SMN2
SCHEMBL31661252 0.68 KDM4E (0.35) KDM4E
SCHEMBL8315301 0.67 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL196599 0.67 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7975453 0.66 KMT2A (0.59) KMT2ACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6112657 0.66 KMT2A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1684499 0.66 KDM4E (0.67) KMT2ACYP1A2PKMALDH1A1MAPT
SCHEMBL23335815 0.66 KDM4E (0.46) CYP1A2ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL13197089 0.64 KMT2A (0.46) KMT2ACYP1A2MEN1PKMMDM2
SCHEMBL7978700 0.64 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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