SCHEMBL14985200

SCHEMBL14985200

CC1OC(CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 5/20 0.47
DOT1L Q8TEK3 5/20 0.47
DNMT1 P26358 4/20 0.47
CARM1 Q86X55 2/20 0.47
EHMT2 Q96KQ7 2/20 0.47
PRMT1 Q99873 2/20 0.47
TRDMT1 O14717 1/20 0.47
PRMT5 O14744 1/20 0.47
SUV39H1 O43463 1/20 0.47
PRMT3 O60678 1/20 0.47
INMT O95050 1/20 0.47
NSD2 O96028 1/20 0.47
PNMT P11086 1/20 0.47
NNMT P40261 1/20 0.47
HNMT P50135 1/20 0.47
WDR5 P61964 1/20 0.47
KMT2A Q03164 1/20 0.47
SETDB1 Q15047 1/20 0.47
RBBP5 Q15291 1/20 0.47
EZH2 Q15910 1/20 0.47

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
SCHEMBL25897368 1.00 DNMT3B (0.47) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL12800307 1.00 DNMT3B (0.47) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL30912138 0.85 DNMT3B (0.49) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL13073241 0.85 DNMT3B (0.49) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL14433645 0.85 DNMT3B (0.49) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL13033863 0.85 DNMT3B (0.49) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL12436335 0.85 DNMT3B (0.49) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL14174651 0.84 DNMT3B (0.48) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL14174656 0.78 DOT1L (0.44) DNMT3BDOT1LDNMT1CARM1EHMT2
SCHEMBL18296920 0.76 DOT1L (0.43) DNMT3BDOT1LDNMT1CARM1EHMT2

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-2013078138-A1 PROTON NMR SPECTROSCOPY FOR BIOCHEMICAL SCREENING OSI Pharmaceuticals, LLC (US) 2013-05-30 WO disclosed