SCHEMBL20117192

SCHEMBL20117192

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)CN(C)C)CC3)n2)ccc1C=N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
SMO Q99835 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20116859 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116690 0.85 GRM5 (0.54) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116798 0.84 KIT (0.42) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20117284 0.84 SMO (0.42) SMN1; SMN2HTTGAASMO
SCHEMBL20116847 0.84 NPC1 (0.42) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116836 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116838 0.83 LMNA (0.54) SMN1; SMN2LMNATSHRHTTSMO
SCHEMBL20116753 0.83 GRM5 (0.54) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20676642 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116682 0.82 NPC1 (0.53) SMN1; SMN2LMNAHTTGAAMAPK1

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