SCHEMBL25946347

SCHEMBL25946347

CCOC(=O)c1c(C)n(C)c2cc(Br)c(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KMT2A Q03164 4/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
MEN1 O00255 1/20 0.72
TSHR P16473 2/20 0.66
HTT P42858 1/20 0.64
LMNA P02545 4/20 0.63
RAD52 P43351 1/20 0.61
MAPT P10636 2/20 0.60
P4HB P07237 1/20 0.60
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
KDM4E B2RXH2 1/20 0.57
SPR P35270 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL25947600 0.95 ALDH1A1 (0.90) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL2877355 0.86 ALDH1A1 (0.76) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL12790254 0.86 ALDH1A1 (0.76) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL25946349 0.85 ALDH1A1 (0.74) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL16244880 0.84 ALDH1A1 (0.74) ALDH1A1KMT2AL3MBTL1MEN1HTT
SCHEMBL13953794 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AL3MBTL1MEN1RAD52
SCHEMBL14158941 0.84 KMT2A (1.00) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL25946420 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL25947068 0.83 ALDH1A1 (0.70) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL2083825 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MEN1TSHR

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed