SCHEMBL5779419

SCHEMBL5779419

Nc1csc(CN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 2/20 0.46
CYP2A13 Q16696 2/20 0.42
NCF1 P14598 1/20 0.42
ADORA2A P29274 3/20 0.41
CA2 P00918 4/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ADORA1 P30542 2/20 0.40
CXCR4 P61073 1/20 0.40

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
SCHEMBL578293 0.80 HTT (0.51) SMN1; SMN2HTTHRH3CYP2A13NCF1
SCHEMBL17213772 0.79 HTT (0.50) SMN1; SMN2HTTHRH3CYP2A13ADORA2A
SCHEMBL12503935 0.76 HTT (0.47) SMN1; SMN2HTTHRH3CYP2A13NCF1
SCHEMBL5257473 0.75 HTT (0.46) SMN1; SMN2HTTHRH3CYP2A13NCF1
SCHEMBL10211545 0.75 HTT (0.46) SMN1; SMN2HTTHRH3CYP2A13ADORA2A
SCHEMBL18507173 0.75 HRH3 (0.52) SMN1; SMN2HTTHRH3CYP2A13MAPT
SCHEMBL13322107 0.75 HTT (0.46) SMN1; SMN2HTTHRH3CYP2A13NCF1
SCHEMBL28149597 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HTTHRH3NCF1CA2
SCHEMBL24853650 0.73 HRH3 (0.61) SMN1; SMN2HTTHRH3CA2ALDH1A1
SCHEMBL14049782 0.73 HRH3 (0.45) SMN1; SMN2HTTHRH3CYP2A13ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed