SCHEMBL6852329

SCHEMBL6852329

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)CC(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRB2 P07550 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL328398 0.90 MMP3 (0.45) ALDH1A1RAB9AKMT2AADRB2MCOLN3
SCHEMBL328551 0.88 ALDH1A1 (0.36) ALDH1A1RAB9AKMT2AADRB2MCOLN3
SCHEMBL6850664 0.87 DAGLA (0.43) ALDH1A1POLBHPGDMMP2MMP9
SCHEMBL6850151 0.85 ALDH1A1 (0.35) ALDH1A1RAB9AKMT2AADRB2LMNA
SCHEMBL6852280 0.84 BDKRB1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL6852266 0.84 HRH3 (0.36) KMT2AADRB2MMP2MMP9
SCHEMBL328412 0.83 MMP3 (0.37) KMT2AMEN1HPGDMMP2MMP9
SCHEMBL10066710 0.82 LSS (0.41) ALDH1A1KMT2AMEN1
SCHEMBL328414 0.82 DAGLA (0.37) ALDH1A1KMT2APOLBHPGDMMP2
SCHEMBL328556 0.82 MMP3 (0.40) KMT2AMEN1MAPTMMP2MMP9

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-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed