SCHEMBL24637809

SCHEMBL24637809

Cc1ccc(OCC(C)(F)C(F)(F)F)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NUDT1 P36639 2/20 0.33
GABRA1 P14867 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL29685778 0.84 SMN1; SMN2 (0.49) IL1BHDAC1HDAC6HDAC5SMN1; SMN2
SCHEMBL16705085 0.84 SMN1; SMN2 (0.49) IL1BHDAC1HDAC6HDAC5SMN1; SMN2
SCHEMBL17562270 0.74 HDAC1 (0.36) IL1BHDAC1HDAC6HDAC5SMN1; SMN2
SCHEMBL13576998 0.71 HTT (0.46) HDAC1HDAC6HDAC5SMN1; SMN2NPC1
SCHEMBL29761634 0.71 HTT (0.46) HDAC1HDAC6HDAC5SMN1; SMN2NPC1
SCHEMBL13750579 0.70 NPC1 (0.36) HDAC1HDAC6HDAC5NPC1RECQL
SCHEMBL17562268 0.70 MEN1 (0.34) HDAC1HDAC6HDAC5SMN1; SMN2L3MBTL1
SCHEMBL24244792 0.67 MEN1 (0.35) SMN1; SMN2NPC1RAB9A
SCHEMBL19624156 0.67 LMNA (0.41) HDAC1HDAC6HDAC5SMN1; SMN2NPC1
SCHEMBL31445352 0.67 KDM4E (0.42) HDAC1HDAC6HDAC5SMN1; SMN2NPC1

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-2022208370-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2022-10-06 WO disclosed