SCHEMBL29049326

SCHEMBL29049326

Cc1ccc(C=C2CC(=O)NC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
PIM1 P11309 2/20 0.59
PIM2 Q9P1W9 2/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.51
MAPT P10636 5/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MIF P14174 1/20 0.43
ACHE P22303 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL15828894 1.00 HPGD (0.59) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL30442966 0.91 HPGD (0.55) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL31412140 0.82 PIM1 (0.59) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL15421862 0.82 HPGD (0.59) HPGDKMT2AMEN1CYP1A2MAOA
SCHEMBL15421861 0.82 HPGD (0.59) HPGDKMT2AMEN1CYP1A2MAOA
SCHEMBL29049322 0.81 PIM1 (0.55) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL2341294 0.81 PIM1 (0.55) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL15281015 0.81 PIM1 (0.55) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL31412078 0.81 PIM1 (0.62) HPGDPIM1PIM2KMT2AMEN1
SCHEMBL29049367 0.81 PIM1 (0.62) HPGDPIM1PIM2KMT2AMEN1

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
CN-116554079-B Histone deacetylase inhibitor and application thereof 南京市鸿舜医药科技有限公司 2023-11-10 CN disclosed
CN-116554079-A Histone deacetylase inhibitor and application thereof 南京市鸿舜医药科技有限公司 2023-08-08 CN disclosed