SCHEMBL20116753

SCHEMBL20116753

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)c4ccccc4F)CC3)n2)ccc1C=N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 4/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.46
KIT P10721 1/20 0.45
SMO Q99835 1/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL20116690 0.88 GRM5 (0.54) GRM5ALDH1A1NPSR1MEN1KMT2A
SCHEMBL20116662 0.86 GRM5 (0.44) GRM5ALDH1A1NPSR1MEN1KMT2A
SCHEMBL20676706 0.85 SMN1; SMN2 (0.43) GRM5ALDH1A1NPSR1MEN1KMT2A
SCHEMBL20116838 0.84 LMNA (0.54) GRM5ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL20117192 0.83 TLR9 (0.51) ALDH1A1NPSR1TSHRHTTSMN1; SMN2
SCHEMBL20676642 0.83 SMN1; SMN2 (0.42) ALDH1A1TSHRHTTSMN1; SMN2LMNA
SCHEMBL20116791 0.82 SMO (0.43) GRM5ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL20116798 0.82 KIT (0.42) NPSR1MEN1KMT2ATSHRHTT
SCHEMBL20116828 0.81 KIT (0.44) GRM5NPSR1MEN1KMT2ATSHR
SCHEMBL20116859 0.81 SMN1; SMN2 (0.44) ALDH1A1TSHRHTTSMN1; SMN2LMNA

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