SCHEMBL5086452

SCHEMBL5086452

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 0.72
EZH2 Q15910 2/20 0.64
DOT1L Q8TEK3 7/20 0.61
SMYD3 Q9H7B4 2/20 0.61
SETD2 Q9BYW2 2/20 0.61
CARM1 Q86X55 3/20 0.61
EHMT2 Q96KQ7 3/20 0.61
NNMT P40261 3/20 0.61
PRMT1 Q99873 3/20 0.61
SETD7 Q8WTS6 3/20 0.61
WDR5 P61964 2/20 0.61
KMT2A Q03164 2/20 0.61
RBBP5 Q15291 2/20 0.61
DPY30 Q9C005 2/20 0.61
ASH2L Q9UBL3 2/20 0.61
TRDMT1 O14717 2/20 0.61
PRMT5 O14744 2/20 0.61
INMT O95050 2/20 0.61
NSD2 O96028 2/20 0.61
METTL3 Q86U44 2/20 0.61

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
SCHEMBL19100209 0.91 MARS1 (0.72) MARS1EZH2DOT1LSMYD3SETD2
SCHEMBL2679879 0.91 MARS1 (0.71) MARS1EZH2DOT1LSMYD3SETD2
SCHEMBL17164713 0.89 EZH2 (0.65) EZH2DOT1LSMYD3SETD2CARM1
SCHEMBL38665162 0.86 MARS1 (0.65) MARS1EZH2DOT1LSMYD3SETD2
SCHEMBL4727574 0.83 MARS1 (0.61) MARS1EZH2DOT1LSMYD3SETD2
SCHEMBL30819188 0.83 MARS1 (0.61) MARS1EZH2DOT1LSMYD3SETD2
Adenosine SCHEMBL3014288 0.82 MARS1 (0.77) MARS1EZH2DOT1LSETD2CARM1
Adenosine SCHEMBL27500408 0.82 MARS1 (0.77) MARS1EZH2DOT1LSETD2CARM1
Adenosine SCHEMBL3014297 0.82 MARS1 (0.77) MARS1EZH2DOT1LSETD2CARM1
SCHEMBL4449190 0.82 DOT1L (0.79) EZH2DOT1LCARM1EHMT2NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122054-A1 S-ADENOSYLMETHIONINE AND METHYLTHIOADENSOSINE IN CHEMOPREVENTION AND TREATMENT OF COLON POLYPS AND CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-10-09 WO disclosed