SCHEMBL20676451

SCHEMBL20676451

CC(C)Nc1cc(-c2noc(C3CCN(Sc4ccccc4Cl)CC3)n2)ccc1C=N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMO Q99835 5/20 0.39
DGAT1 O75907 1/20 0.39
KIT P10721 4/20 0.38
TBK1 Q9UHD2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ERG P11308 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
GAA P10253 1/20 0.37
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
CASP3 P42574 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
SCHEMBL20116688 0.83 CNR1 (0.39) CNR1CNR2SMODGAT1KIT
SCHEMBL20116798 0.82 KIT (0.42) SMOKITSMN1; SMN2HTTLMNA
SCHEMBL20116682 0.81 NPC1 (0.53) DGAT1KITSMN1; SMN2HTTLMNA
SCHEMBL20116847 0.80 NPC1 (0.42) SMOKITSMN1; SMN2HTTLMNA
SCHEMBL20116791 0.79 SMO (0.43) SMODGAT1SMN1; SMN2HTTLMNA
SCHEMBL20116766 0.78 NPC1 (0.42) KITSMN1; SMN2HTTNR1H4GAA
SCHEMBL20676516 0.78 SMN1; SMN2 (0.38) CNR1CNR2SMODGAT1KIT
SCHEMBL20676636 0.77 LMNA (0.46) SMN1; SMN2HTTLMNAMAPTNPSR1
SCHEMBL20116662 0.77 GRM5 (0.44) SMN1; SMN2HTTLMNAMAPTNPSR1
SCHEMBL20116753 0.76 GRM5 (0.54) SMOKITSMN1; SMN2HTTLMNA

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 2 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