SCHEMBL8670919

SCHEMBL8670919

O=C(c1ncsn1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 3/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP2D6 P10635 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
RBBP9 O75884 1/20 0.30

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
SCHEMBL9948513 0.72 JAK3 (0.41) SRD5A2SMN1; SMN2RAB9AJAK3ALDH1A1
SCHEMBL9948893 0.71 JAK3 (0.44) SRD5A2SMN1; SMN2RAB9AJAK3RIPK1
SCHEMBL22104899 0.68 CYP2D6 (0.51) SRD5A2SMN1; SMN2RIPK1CYP2D6
SCHEMBL3084598 0.67
SCHEMBL24922533 0.64 RAB9A (0.42) SMN1; SMN2RAB9AALDH1A1
SCHEMBL22104901 0.63 CYP2D6 (0.46) RIPK1CYP2D6
SCHEMBL9949154 0.63 HTR2A (0.36) SMN1; SMN2JAK3RIPK1CYP2D6
SCHEMBL9064028 0.63
SCHEMBL13896080 0.61 SMN1; SMN2 (0.40) SRD5A2SMN1; SMN2RAB9AJAK3ALDH1A1
SCHEMBL24922542 0.61 RAB9A (0.42) SMN1; SMN2RAB9AALDH1A1

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
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed