SCHEMBL6207210

SCHEMBL6207210

CN(CCN(C)Cc1ccccc1)CC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
PRMT8 Q9NR22 1/20 0.56
SIGMAR1 Q99720 1/20 0.51
MGLL Q99685 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
PYCR1 P32322 1/20 0.46
BLM P54132 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL3047704 0.93 SIGMAR1 (0.57) CARM1PRMT6PRMT8SIGMAR1MGLL
SCHEMBL3050138 0.93 SIGMAR1 (0.62) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL7055109 0.84 CARM1 (0.75) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL8221303 0.78 CARM1 (0.67) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL19214898 0.78 CARM1 (0.67) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL3052024 0.78 CA12 (0.40) MGLLCA12CA1CA2CA9
SCHEMBL6785880 0.76 CARM1 (0.64) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL135868 0.76 CARM1 (0.64) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL15790968 0.76 CARM1 (0.64) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL3051170 0.76 KMT2A (0.50) SIGMAR1ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
EP-0948527-B1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP disclosed
EP-0979244-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-02-16 EP disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 WO disclosed