SCHEMBL6824635

SCHEMBL6824635

CC(CNC(=O)Nc1ccccc1F)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 2/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL6822372 0.89 MEN1 (0.38) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6827730 0.89 RAB9A (0.40) LMNAKMT2ANPC1RAB9A
SCHEMBL6827638 0.89 TAS1R3 (0.41) NPC1RAB9AEPHX2ALDH1A1NPSR1
SCHEMBL6825840 0.88 MEN1 (0.38) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL6822365 0.88 TDP1 (0.44) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6822128 0.88 MEN1 (0.38) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL6825499 0.87 TAS1R3 (0.44) NPC1RAB9AEPHX2ALDH1A1NPSR1
SCHEMBL6822416 0.86 TDP1 (0.46) KMT2ASMN1; SMN2HPGDTAS1R3TAS1R1
SCHEMBL6825381 0.82 TRPV1 (0.40) LMNAKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6825333 0.82 RAB9A (0.41) LMNAKMT2ANPC1RAB9ASMN1; 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 disclosed