SCHEMBL6850247

SCHEMBL6850247

CCOC(=O)N1CCN(CCS(=O)(=O)N(C)CCN(CC(N)=O)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
PSEN1 P49768 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
SCHEMBL328557 0.91 ADRB2 (0.43) ADRB2ALDH1A1KMT2ALMNAMEN1
SCHEMBL6850180 0.91 MMP9 (0.40) ALDH1A1GAA
SCHEMBL328556 0.90 MMP3 (0.40) KMT2AMEN1MAPTPSEN1PSEN2
SCHEMBL10066483 0.88 MMP3 (0.41) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL328544 0.83 DAGLA (0.35) ALDH1A1KMT2AHPGDPOLBCYP2C19
SCHEMBL328560 0.82 MMP3 (0.44)
SCHEMBL6863812 0.81 MMP3 (0.52)
SCHEMBL328555 0.79 MMP3 (0.53) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6852266 0.79 HRH3 (0.36) ADRB2KMT2A
SCHEMBL328414 0.79 DAGLA (0.37) ALDH1A1KMT2AHPGDPOLBSMN1; 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 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