SCHEMBL30112409

SCHEMBL30112409

CCC1CNc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.50
HPGD P15428 1/20 0.50
HTR1A P08908 3/20 0.46
NISCH Q9Y2I1 1/20 0.45
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
DRD2 P14416 1/20 0.35
PKM P14618 1/20 0.35
HTR5A P47898 1/20 0.35

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
SCHEMBL17150937 1.00 CASR (0.50) CASRHPGDHTR1ANISCHBRD4
SCHEMBL4824743 0.86 HPGD (0.51) CASRHPGDHTR1ANISCHBRD4
SCHEMBL9700340 0.82 NISCH (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL18301039 0.82 HPGD (0.48) CASRHPGDHTR1ANISCH
SCHEMBL3969660 0.82 CASR (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL2638179 0.82 CASR (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL3969657 0.82 CASR (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL8570483 0.82 CASR (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL8562491 0.81 CASR (0.47) CASRHPGDHTR1ANISCHBRD4
SCHEMBL9701396 0.81 CASR (0.56) CASRHPGDHTR1ANISCHBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367113-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 EP disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed