SCHEMBL6822389

SCHEMBL6822389

CC(C)(CNC(=O)Nc1cc(F)ccc1F)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 4/20 0.36
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CCR3 P51677 4/20 0.34
CCR1 P32246 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
PARP1 P09874 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A9 P48067 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL6822302 0.89 KMT2A (0.40) MEN1KMT2APKMSMN1; SMN2NPC1
SCHEMBL7064914 0.88 POLB (0.39) POLBMAPTALDH1A1L3MBTL1
SCHEMBL7068433 0.88 POLB (0.38) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6825458 0.87 KLK7 (0.39) MEN1KMT2AMAPTSMN1; SMN2MMP1
SCHEMBL6825522 0.87 POLB (0.39) POLBMAPT
SCHEMBL6822147 0.87 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2CCR3
SCHEMBL6825283 0.86 KMT2A (0.42) MEN1KMT2APKMSMN1; SMN2NPC1
SCHEMBL6822393 0.85 SLC6A9 (0.42) SLC6A9
SCHEMBL6825485 0.84 RAB9A (0.43) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6825386 0.84 TP53 (0.38) MEN1KMT2APOLBMAPTSMN1; SMN2

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed