SCHEMBL30944396

SCHEMBL30944396

CC12CC3CC(C)(C1)CC(C(=O)Nc1nc4cc(F)c(F)cc4o1)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
P2RX7 Q99572 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MEN1 O00255 2/20 0.37
EPHX2 P34913 4/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL31236385 0.87 P2RX7 (0.48) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944307 0.83 P2RX7 (0.44) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944418 0.83 GAA (0.43) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944413 0.83 FFAR2 (0.47) ALOX15GAAHTTP2RX7NPC1
SCHEMBL28525120 0.83 ALOX15 (0.41) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944317 0.82 NPC1 (0.47) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944358 0.81 NPC1 (0.42) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944313 0.81 NPC1 (0.44) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944369 0.77 GAA (0.44) ALOX15GAAHTTP2RX7NPC1
SCHEMBL30944379 0.77 P2RX7 (0.47) ALOX15GAAHTTP2RX7NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed