SCHEMBL20116690

SCHEMBL20116690

CC(C)Nc1cc(-c2noc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)ccc1C=N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.54
CLPP Q16740 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 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
SCHEMBL20116662 0.90 GRM5 (0.44) GRM5CLPPSMN1; SMN2HTTGAA
SCHEMBL20116753 0.88 GRM5 (0.54) GRM5SMN1; SMN2HTTGAALMNA
SCHEMBL20117192 0.85 TLR9 (0.51) SMN1; SMN2HTTGAALMNATSHR
SCHEMBL20116838 0.85 LMNA (0.54) GRM5SMN1; SMN2HTTLMNATSHR
SCHEMBL20676642 0.85 SMN1; SMN2 (0.42) SMN1; SMN2HTTGAALMNATSHR
SCHEMBL20116828 0.83 KIT (0.44) GRM5SMN1; SMN2HTTGAALMNA
SCHEMBL20676706 0.83 SMN1; SMN2 (0.43) GRM5SMN1; SMN2HTTGAALMNA
SCHEMBL20116859 0.83 SMN1; SMN2 (0.44) SMN1; SMN2HTTGAALMNATSHR
SCHEMBL20116791 0.83 SMO (0.43) GRM5SMN1; SMN2HTTLMNATSHR
SCHEMBL20116798 0.83 KIT (0.42) SMN1; SMN2HTTGAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed