SCHEMBL5670302

SCHEMBL5670302

N=C(N)NC(=O)C=Cc1ccccc1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ PTGER4 P35408 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ HDAC1 Q13547 3/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL5434519 0.83 HDAC8 (0.45) HTTPTGER4PTGER3PTGER2NFE2L2
SCHEMBL30071567 0.83 HDAC8 (0.45) HTTPTGER4PTGER3PTGER2NFE2L2
SCHEMBL5434522 0.83 HDAC8 (0.45) HTTPTGER4PTGER3PTGER2NFE2L2
SCHEMBL30071606 0.81 MAOB (0.62) HTTMAOBNFE2L2BACE1MAOA
SCHEMBL5436428 0.81 MAOB (0.62) HTTMAOBNFE2L2BACE1MAOA
SCHEMBL5433894 0.81 MAOB (0.62) HTTMAOBNFE2L2BACE1MAOA
SCHEMBL5672553 0.80 ALDH1A1 (0.42) HTTPTGER4PTGER3PTGER2NFE2L2
Guanidine SCHEMBL27709650 0.80 MAOB (0.60) HTTMAOBNFE2L2BACE1MAOA
SCHEMBL30071662 0.79 RAB9A (0.50) HTTMAOBNFE2L2HDAC8HDAC6
SCHEMBL5436269 0.79 RAB9A (0.50) HTTMAOBNFE2L2HDAC8HDAC6

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
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 — — EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 — — WO claimed
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