SCHEMBL26546183

SCHEMBL26546183

CNC(=O)Nc1ncco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
FFAR2 O15552 1/20 0.46
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GCK P35557 3/20 0.39
NAMPT P43490 1/20 0.38
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
LRRK2 Q5S007 1/20 0.36
HSPD1 P10809 1/20 0.35
PTPN7 P35236 1/20 0.35
HSPE1 P61604 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
SCHEMBL10857049 0.83 EPHX2 (0.46) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL17186398 0.80 EPHX2 (0.49) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3262436 0.80
Hydrochloric Acid SCHEMBL17186463 0.79 EPHX2 (0.48) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3070030 0.78
SCHEMBL1259566 0.76
SCHEMBL18072257 0.76
SCHEMBL21743428 0.76 KDM4E (0.45) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18964090 0.76 KDM4E (0.46) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL13024156 0.76 FFAR2 (0.58) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1

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
WO-2024102752-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF PARMEDICS, INC. (US) 2024-05-16 WO disclosed
WO-2023187670-A1 DIAZABICYCLOOCTANE DERIVATIVES USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS VASA THERAPEUTICS SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2023-10-05 WO disclosed