SCHEMBL20116634

SCHEMBL20116634

COc1ccc(-c2noc(C3CCN(C=O)CC3)n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HTT P42858 3/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 5/20 0.54
SMO Q99835 2/20 0.54
USP2 O75604 1/20 0.54
TLR9 Q9NR96 4/20 0.52
TLR8 Q9NR97 4/20 0.52
TLR7 Q9NYK1 4/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 2/20 0.47

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
SCHEMBL20676389 0.86 ALDH1A1 (0.55) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL20676691 0.86 HTT (0.57) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL20676557 0.84 RAB9A (0.61) TSHRL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL26996429 0.84 TLR9 (0.55) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL20676390 0.83 TLR9 (0.70) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL20676371 0.82 LMNA (0.46) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL20116204 0.82 HTT (0.58) TSHRHTTMEN1CYP3A4CYP2C9
SCHEMBL21611298 0.81 LMNA (0.47) TSHRHTTMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL30506238 0.81 HTT (0.58) TSHRHTTMEN1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL20660764 0.81 HTT (0.58) TSHRHTTMEN1CYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed