SCHEMBL24873255

SCHEMBL24873255

O=C(CCl)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SLC6A9 P48067 1/20 0.47
ATM Q13315 2/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CACNA2D1 P54289 4/20 0.44
CACNB1 Q02641 4/20 0.44
CACNA1C Q13936 4/20 0.44
CACNA1B Q00975 3/20 0.44
CACNA1H O95180 1/20 0.44
KMT2A Q03164 3/20 0.44
CACNA1G O43497 2/20 0.44
OPRD1 P41143 1/20 0.43
CACNA1A O00555 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5461890 0.84 ALDH1A1 (0.51) ALDH1A1SLC6A9ATMCNR1CNR2
SCHEMBL85386 0.81 ALDH1A1 (0.54) ALDH1A1SLC6A9CNR1CNR2CACNA2D1
SCHEMBL3296378 0.80 SLC6A9 (0.47) ALDH1A1SLC6A9ATMCNR1CNR2
Hydrochloric Acid SCHEMBL4509686 0.80 ALDH1A1 (0.50) ALDH1A1SLC6A9ATMCNR1CNR2
SCHEMBL20594076 0.80 KMT2A (0.57) ALDH1A1SLC6A9CNR1CNR2KMT2A
SCHEMBL12499368 0.78 ALDH1A1 (0.51) ALDH1A1SLC6A9CNR1CNR2CACNA2D1
SCHEMBL3299615 0.77 MAOB (0.53) ALDH1A1SLC6A9CNR1CNR2KMT2A
SCHEMBL4175324 0.74 KMT2A (0.49) ALDH1A1SLC6A9CNR1CNR2CACNA2D1
SCHEMBL1366519 0.74 ALDH1A1 (0.48) ALDH1A1SLC6A9CNR1CNR2CACNA2D1
SCHEMBL72964 0.74 CYP3A4 (0.49) ALDH1A1SLC6A9CNR1CNR2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366834-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 EP disclosed
WO-2023283372-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed
WO-2023283372-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed