SCHEMBL20116730

SCHEMBL20116730

CC(C)N(C)c1cc(-c2noc(C3CCN(C(=O)CC4(C)CC4)CC3)n2)ccc1CC=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL20116824 0.87 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRALDH1A1POLB
SCHEMBL20116852 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL20117283 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL20676469 0.82 HSD11B1 (0.49) SMN1; SMN2LMNATSHRALDH1A1CYP3A4
SCHEMBL20117119 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRALDH1A1HTT
SCHEMBL20116410 0.75 LMNA (0.49) SMN1; SMN2LMNATSHRALDH1A1POLB
SCHEMBL20116500 0.74 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRALDH1A1HTT
SCHEMBL20116455 0.73 LMNA (0.44) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL22357945 0.73 LMNA (0.45) SMN1; SMN2LMNATSHRALDH1A1POLB
SCHEMBL20676430 0.72 LMNA (0.41) SMN1; SMN2LMNATSHRHTTTLR9

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