SCHEMBL328551

SCHEMBL328551

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)C(=O)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
ADRB2 P07550 1/20 0.34
MMP3 P08254 1/20 0.34
F10 P00742 2/20 0.34

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
SCHEMBL6852329 0.88 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2AHPGDMAPT
SCHEMBL328412 0.87 MMP3 (0.37) KMT2AHPGDMEN1MMP3F10
SCHEMBL6850151 0.85 ALDH1A1 (0.35) ALDH1A1RAB9AKMT2AHPGDMAPT
SCHEMBL6852266 0.84 HRH3 (0.36) KMT2AADRB2
SCHEMBL6852333 0.84 MMP3 (0.39) KMT2AMEN1MMP3F10
SCHEMBL6852386 0.83 MMP3 (0.38) KMT2AMEN1MMP3F10
SCHEMBL6852594 0.83 AHCY (0.44) ALDH1A1NPSR1MMP3
SCHEMBL328480 0.83 MMP3 (0.47) ALDH1A1RAB9AMAPTPOLBMCOLN3
SCHEMBL328556 0.82 MMP3 (0.40) KMT2AMAPTMEN1MMP3F10
SCHEMBL6852303 0.81 ADRB2 (0.38) ALDH1A1KMT2AMEN1HTTNPSR1

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed