SCHEMBL23905586

SCHEMBL23905586

CCNC(=O)c1cc(OC2CC2)c2ncc(OC)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.47
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
DGAT2 Q96PD7 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 2/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL23905519 0.84 HSD17B2 (0.42) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL23904830 0.84 KMT2A (0.44) HPGDSPDE4DPDE4APDE4BPDE4C
SCHEMBL23958784 0.76 PDE4A (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL23905722 0.74 HPGDS (0.45) HPGDSPDE4DPDE4APDE4BPDE4C
SCHEMBL25687961 0.72 ATM (0.41) HPGDSPDE4DPDE4APDE4BPDE4C
SCHEMBL23905483 0.71 CA12 (0.39) PDE4DPDE4BSMN1; SMN2MAPTRAB9A
SCHEMBL23883070 0.71 KDM4E (0.46) HPGDSMAPTKDM4EALDH1A1
SCHEMBL23905310 0.70 CA12 (0.38) RAB9A
SCHEMBL23904867 0.69 MEN1 (0.48) HPGDSSMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL23196004 0.69 KMO (0.40) PDE4DPDE4APDE4BPDE4CDGAT2

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed