SCHEMBL23992172

SCHEMBL23992172

Cc1ccc(/C=C/CC(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PADI4 Q9UM07 1/20 0.37
PAM P19021 1/20 0.37
TBXAS1 P24557 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALOX5 P09917 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12805682 0.85 PAM (0.55) HDAC1HDAC3HDAC2KDM4EHDAC6
SCHEMBL12074867 0.85 PAM (0.55) HDAC1HDAC3HDAC2KDM4EHDAC6
SCHEMBL17787989 0.85 HDAC1 (0.46) HDAC1HDAC3HDAC2KDM4EHDAC6
SCHEMBL2674302 0.83 ADRA2A (0.41) HDAC1HDAC3HDAC2ADRA2AADRA2B
SCHEMBL23992174 0.81 PAM (0.36) HDAC1HDAC3HDAC2KDM4EPADI4
SCHEMBL7816689 0.79 GRIK1 (0.49) KDM4EPAMPOLBALOX5MAPT
SCHEMBL2760655 0.77 ADRA2A (0.44) HDAC1HDAC3HDAC2ADRA2AADRA2B
SCHEMBL20152895 0.77 ALDH1A1 (0.46) HDAC1HDAC3HDAC2ADRA2AADRA2B
SCHEMBL23992178 0.77 TBXAS1 (0.60) HDAC1HDAC3HDAC2KDM4ETBXAS1
SCHEMBL10193818 0.74 HDAC1 (0.36) HDAC1HDAC3HDAC2ADRA2AADRA2B

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-2021219040-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT GNT BIOTECH & MEDICALS CORPORATION (CN) 2021-11-04 WO disclosed