SCHEMBL21732638

SCHEMBL21732638

Cc1ccn(C(C)(C)CN(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.35
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21166137 0.79 MAPT (0.34) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL6267324 0.77 NOS1 (0.37) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL24884220 0.74 NOS1 (0.35) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL20743690 0.74 PTGS2 (0.32) RIPK2
SCHEMBL24737152 0.70 NOS1 (0.41) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL24813878 0.70 MAPT (0.36) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL12436779 0.69 LMNA (0.40) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL22305675 0.69 CYP4F2 (0.35) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL6904862 0.67 MAPT (0.38) HTTALDH1A1USP2ALOX15NPSR1
SCHEMBL22679520 0.67

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-2020035465-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed