SCHEMBL5582866

SCHEMBL5582866

CSCC[C@H](N)C(=O)OCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 6/20 0.84
NNMT P40261 3/20 0.65
DOT1L Q8TEK3 5/20 0.65
CARM1 Q86X55 5/20 0.65
NSD2 O96028 4/20 0.65
SETD7 Q8WTS6 4/20 0.65
EHMT2 Q96KQ7 3/20 0.65
PRMT1 Q99873 3/20 0.65
EZH2 Q15910 2/20 0.65
TRDMT1 O14717 2/20 0.65
PRMT5 O14744 2/20 0.65
INMT O95050 2/20 0.65
METTL3 Q86U44 2/20 0.65
EHMT1 Q9H9B1 2/20 0.65
METTL14 Q9HCE5 2/20 0.65
FASN P49327 2/20 0.65
SUV39H1 O43463 1/20 0.65
PRMT3 O60678 1/20 0.65
PNMT P11086 1/20 0.65
DNMT1 P26358 1/20 0.65

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
SCHEMBL583457 0.91 MARS1 (1.00) MARS1NNMTDOT1LCARM1NSD2
SCHEMBL3014292 0.91 MARS1 (1.00) MARS1NNMTDOT1LCARM1NSD2
Sulfuric Acid SCHEMBL28535358 0.88 MARS1 (0.93) MARS1NNMTDOT1LCARM1NSD2
SCHEMBL8749425 0.87 MARS1 (0.79) MARS1NNMTDOT1LCARM1NSD2
Adenosine SCHEMBL3014288 0.85 MARS1 (0.77) MARS1NNMTDOT1LCARM1NSD2
Adenosine SCHEMBL3014297 0.85 MARS1 (0.77) MARS1NNMTDOT1LCARM1NSD2
Adenosine SCHEMBL27500408 0.85 MARS1 (0.77) MARS1NNMTDOT1LCARM1NSD2
SCHEMBL28544526 0.85 MARS1 (0.86) MARS1NNMTDOT1LCARM1NSD2
Racemethionine SCHEMBL28493813 0.84 MARS1 (0.75) MARS1NNMTDOT1LCARM1NSD2
Adenosine SCHEMBL27683410 0.84 MARS1 (0.75) MARS1NNMTDOT1LCARM1NSD2

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-2005180-B1 ENZYMATIC DETECTION TECHNIQUES KIMBERLY CLARK CO (US) 2014-08-13 EP disclosed
US-8758989-B2 Enzymatic detection techniques KIMBERLY-CLARK WORLDWIDE, INC. (US) 2014-06-24 US disclosed
US-20070238102-A1 Enzymatic detection techniques KIMBERLY-CLARK WORLDWIDE, INC. 2007-10-11 US disclosed