SCHEMBL25564405

SCHEMBL25564405

CC(=O)Cc1ccc(CN)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
CYP3A4 P08684 1/20 0.37
KLK1 P06870 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
NOS3 P29474 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
SCHEMBL23241569 0.86 RXRA (0.49) KLKB1KDM4ESMN1; SMN2NPSR1RXRA
SCHEMBL4844663 0.81 ALDH1A1 (0.46) KLKB1KDM4ESMN1; SMN2LOXL2
SCHEMBL18656545 0.79 CSNK2A1 (0.46) KLKB1LOXL2NOS1NOS2NOS3
SCHEMBL8141320 0.78 HRH3 (0.40) KLKB1LOXL2
SCHEMBL4050941 0.77 NPC1 (0.45) SMN1; SMN2CYP3A4NPSR1
SCHEMBL27263781 0.77 SHBG (0.42) KLKB1LOXL2NOS1NOS2NOS3
SCHEMBL9715576 0.77 BCHE (0.43) NPSR1
SCHEMBL28148703 0.76 CFD (0.44) KDM4ESMN1; SMN2LOXL2CYP3A4
SCHEMBL28346847 0.76 HSD17B1 (0.47) KDM4ECYP3A4NPSR1RXRARXRB
SCHEMBL28192545 0.75 KDM4E (0.47) KLKB1KDM4ERXRARXRB

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
WO-2023099669-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR ZEALAND PHARMA A/S (DK) 2023-06-08 WO disclosed