SCHEMBL5839742

SCHEMBL5839742

CC(C)C(C)(c1ccccn1)C(N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34

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
SCHEMBL2018258 0.88 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL5839663 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL28341098 0.77 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL20809866 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL22863374 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL27667285 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL21742287 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL12238622 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL16132386 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2
SCHEMBL26833409 0.73 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMTDP1SLC22A2

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
US-6992034-B2 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2006-01-31 US disclosed
US-20050009690-A1 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATIONS, U.S.A. 2005-01-13 US disclosed