SCHEMBL6850180

SCHEMBL6850180

CN1CCN(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 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.40
MMP1 P03956 3/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.40
MMP2 P08253 2/20 0.39
SOS1 Q07889 1/20 0.36
MCHR1 Q99705 7/20 0.35
CNR1 P21554 1/20 0.34
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
MAP2K1 Q02750 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
SCHEMBL328556 0.94 MMP3 (0.40) MMP9MMP2SOS1MMP3
SCHEMBL10066483 0.92 MMP3 (0.41) MMP9MMP13MMP2MMP3ALDH1A1
SCHEMBL6850247 0.91 ADRB2 (0.44) ALDH1A1GAA
SCHEMBL328560 0.91 MMP3 (0.44) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL328544 0.87 DAGLA (0.35) SOS1ALDH1A1
SCHEMBL6852266 0.85 HRH3 (0.36) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL328650 0.84 MMP9 (0.36) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL6863812 0.84 MMP3 (0.52) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL328555 0.83 MMP3 (0.53) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL328414 0.83 DAGLA (0.37) MMP9MMP2ALDH1A1

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