SCHEMBL27359752

SCHEMBL27359752

Cn1nc2ccc(O)cc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ESR2 Q92731 6/20 0.41
ESRRB O95718 3/20 0.41
ESRRA P11474 3/20 0.41
AR P10275 8/20 0.36
TRPV1 Q8NER1 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL27359897 0.81 CASP3 (0.42) L3MBTL1
SCHEMBL27359778 0.80 PSMB8 (0.38) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL27359759 0.80 CSNK2A1 (0.40) KDM4EALDH1A1LMNAHTT
SCHEMBL27359766 0.80 PDE10A (0.38) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL27359764 0.78 HCAR3 (0.43) ESR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3135764 0.78 NQO1 (0.46) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL27359889 0.76 KDM4C (0.41) ARKDM4E
SCHEMBL9389564 0.75 KDM4E (0.42) KDM4EMEN1ALDH1A1MAPTHTT
SCHEMBL23996985 0.72 ESR1 (0.38) ESR1ESR2ESRRBESRRAPARP1
SCHEMBL27359909 0.72 CSNK2A1 (0.37)

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-2024026536-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-02-08 WO disclosed