SCHEMBL25944690

SCHEMBL25944690

CCOC(=O)c1c(CN)n(-c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
LMNA P02545 5/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 6/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
GPR55 Q9Y2T6 2/20 0.52
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
P4HB P07237 1/20 0.51
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
MAT2A P31153 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL25944688 0.90 KMT2A (0.57) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL25944686 0.86 MEN1 (0.65) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL25944689 0.83 ALDH1A1 (0.51) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL25942412 0.82 TSHR (0.48) ALDH1A1MAPTKMT2AMEN1GPR55
SCHEMBL25944691 0.81 ALDH1A1 (0.49) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL25944694 0.81 ALDH1A1 (0.48) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL25944381 0.80 ATM (0.46) ALDH1A1LMNAMAPTNPSR1KMT2A
SCHEMBL2883770 0.76 RECQL (0.62) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL25941571 0.75 SMN1; SMN2 (0.54) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL1719451 0.75 MEN1 (0.60) ALDH1A1POLBMAPTKMT2AMEN1

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