SCHEMBL29620377

SCHEMBL29620377

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN[C@@H](CCS)C(=O)O)[C@@H](O)[C@H]1[SeH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.57
DOT1L Q8TEK3 5/20 0.56
NSD2 O96028 5/20 0.56
CARM1 Q86X55 5/20 0.56
SETD7 Q8WTS6 4/20 0.56
EHMT2 Q96KQ7 4/20 0.56
PRMT1 Q99873 3/20 0.56
PCMT1 P22061 2/20 0.56
TRDMT1 O14717 2/20 0.56
PRMT5 O14744 2/20 0.56
INMT O95050 2/20 0.56
METTL3 Q86U44 2/20 0.56
EHMT1 Q9H9B1 2/20 0.56
METTL14 Q9HCE5 2/20 0.56
SETD2 Q9BYW2 2/20 0.56
RNMT O43148 1/20 0.56
TPMT P51580 1/20 0.56
NSD1 Q96L73 1/20 0.56
NSD3 Q9BZ95 1/20 0.56
FASN P49327 3/20 0.56

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
SCHEMBL21853808 1.00 NNMT (0.57) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL16057650 0.93 NNMT (0.57) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL29378634 0.93 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL27514667 0.93 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL22444816 0.93 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL9754 0.93 NNMT (0.64) NNMTDOT1LNSD2CARM1SETD7
Hydrogen Sulfide SCHEMBL27973834 0.92 NNMT (0.62) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL29802656 0.90 EGFR (0.63) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL29489322 0.90 NNMT (0.54) NNMTDOT1LNSD2CARM1SETD7
SCHEMBL28735751 0.90 NNMT (0.54) NNMTDOT1LNSD2CARM1SETD7

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
CN-114533753-A Selenium-containing composition and application thereof in treating and preventing diseases or symptoms related to mitochondrial dysfunction 全技术公司 2022-05-27 CN disclosed