SCHEMBL6822406

SCHEMBL6822406

CC(C)(CNC(=O)Nc1cccc(C#N)c1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
CCR3 P51677 12/20 0.41
HTR2A P28223 4/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ROCK2 O75116 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL6827557 0.90 EPHX1 (0.41) KMT2ATSHRCCR3ROCK2
SCHEMBL6825042 0.88 MEN1 (0.43) KMT2AGRM5
SCHEMBL6825283 0.87 KMT2A (0.42) KMT2AGRM5
SCHEMBL6827891 0.87 NPC1 (0.44) KMT2A
SCHEMBL6827780 0.86 EPHX2 (0.53) KMT2ATSHR
SCHEMBL6827756 0.84 NPC1 (0.46) KMT2AL3MBTL1
SCHEMBL6822147 0.83 SMN1; SMN2 (0.41) KMT2ATSHRCCR3L3MBTL1
SCHEMBL6822393 0.82 SLC6A9 (0.42)
SCHEMBL6825458 0.82 KLK7 (0.39) KMT2ACCR3PPARGPPARA
SCHEMBL6822405 0.81 KMT2A (0.50) KMT2ATSHRCCR3HTR2APPARG

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