SCHEMBL29699116

SCHEMBL29699116

CC(O)c1cccc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
UGT2B7 P16662 1/20 0.44
PTGS1 P23219 1/20 0.44
DRD1 P21728 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK2 O95069 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNB1 Q14721 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 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
SCHEMBL15943226 1.00 MEN1 (0.45) MEN1KMT2AUGT2B7PTGS1DRD1
SCHEMBL824148 0.85 KDM4E (0.46) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL6055421 0.85 RXRA (0.47) MEN1KMT2AUGT2B7PTGS1ACHE
SCHEMBL28079678 0.82 PTGS1 (0.53) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL24588262 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL16950312 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL28031476 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL16044648 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL4230419 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE
SCHEMBL19876580 0.81 DRD1 (0.41) MEN1KMT2APTGS1DRD1ACHE

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-2022116998-A1 FUSED HETEROCYCLIC DERIVATIVES AS HBV INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2022-06-09 WO disclosed