SCHEMBL22944361

SCHEMBL22944361

COC(=O)c1cc(F)c2c(c1)CCN1CCCC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NAMPT P43490 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NR2F2 P24468 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
SCHEMBL22944367 1.00 HDAC6 (0.41) HDAC6NAMPTKDM4EPOLBNPC1
SCHEMBL22944368 1.00 HDAC6 (0.41) HDAC6NAMPTKDM4EPOLBNPC1
SCHEMBL22944117 0.96 HDAC6 (0.41) HDAC6KDM4EPOLBALOX15HSD17B10
SCHEMBL29672374 0.96 HDAC6 (0.41) HDAC6KDM4EPOLBALOX15HSD17B10
SCHEMBL29672403 0.96 HDAC6 (0.41) HDAC6KDM4EPOLBALOX15HSD17B10
SCHEMBL22944089 0.84 HDAC6 (0.58) HDAC6
SCHEMBL22944091 0.84 HDAC6 (0.58) HDAC6
SCHEMBL22944092 0.81 HDAC6 (0.59) HDAC6
SCHEMBL22944096 0.81 HDAC6 (0.59) HDAC6
SCHEMBL29784646 0.80 KDM4E (0.38) HDAC6KDM4EPOLBNPC1RAB9A

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-2021021979-A2 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
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