SCHEMBL20116688

SCHEMBL20116688

CC(C)Nc1cc(-c2noc(C3CCN([S+]([O-])c4ccccc4Cl)CC3)n2)ccc1C=N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DGAT1 O75907 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KIT P10721 3/20 0.37
SMO Q99835 4/20 0.37
HSD11B1 P28845 3/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ERG P11308 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL20676703 0.84 LMNA (0.39) DGAT1SMN1; SMN2HTTGAASMO
SCHEMBL20116883 0.84 NPC1 (0.40) DGAT1SMN1; SMN2HTTGAAKIT
SCHEMBL20676451 0.83 CNR1 (0.39) CNR1CNR2DGAT1SMN1; SMN2HTT
SCHEMBL20116798 0.81 KIT (0.42) SMN1; SMN2HTTGAAKITSMO
SCHEMBL20116735 0.80 SMO (0.36) DGAT1SMN1; SMN2HTTGAAKIT
SCHEMBL20116682 0.80 NPC1 (0.53) DGAT1SMN1; SMN2HTTGAAKIT
SCHEMBL20116847 0.79 NPC1 (0.42) SMN1; SMN2HTTGAAKITSMO
SCHEMBL20116791 0.79 SMO (0.43) DGAT1SMN1; SMN2HTTSMOHSD11B1
SCHEMBL20116766 0.77 NPC1 (0.42) SMN1; SMN2HTTGAAKITNR1H4
SCHEMBL20116753 0.77 GRM5 (0.54) SMN1; SMN2HTTGAAKITSMO

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