SCHEMBL328650

SCHEMBL328650

CN1CCN(C(=O)NS(=O)(=O)N(C)CCN(CC(N)=O)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
ADAM17 P78536 3/20 0.36
SLC9A3 P48764 1/20 0.35
ADRB2 P07550 1/20 0.34
MMP2 P08253 2/20 0.34
STS P08842 2/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
LIPE Q05469 1/20 0.32
KDM1A O60341 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32

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
SCHEMBL6850151 0.93 ALDH1A1 (0.35) MMP1MMP13SLC9A3ADRB2MMP2
SCHEMBL6850229 0.92 ALDH1A1 (0.39) MMP9MMP2ALDH1A1MAPT
SCHEMBL6865124 0.92 MMP3 (0.40) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6852266 0.86 HRH3 (0.36) MMP9MMP1MMP13ADAM17ADRB2
SCHEMBL10067177 0.85 MMP3 (0.44) MMP9MMP1MMP13MMP2KMT2A
SCHEMBL6850180 0.84 MMP9 (0.40) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6864658 0.83 MMP3 (0.46) MMP9MMP1MMP13MMP2ALDH1A1
SCHEMBL328661 0.83 KMT2A (0.38) KMT2AGAAALDH1A1
SCHEMBL328414 0.82 DAGLA (0.37) MMP9MMP2KMT2AALDH1A1
SCHEMBL328548 0.81 DAGLA (0.37) SLC9A3KMT2AALDH1A1MAPT

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