SCHEMBL7054701

SCHEMBL7054701

Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSCc2ccc(F)cc2)[C@H](O)[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNMT Q14749 3/20 0.74
AHCY P23526 5/20 0.69
NADK O95544 1/20 0.69
DOT1L Q8TEK3 5/20 0.69
DNMT3B Q9UBC3 3/20 0.69
PNMT P11086 2/20 0.69
DNMT1 P26358 2/20 0.69
PRMT7 Q9NVM4 2/20 0.67
CARM1 Q86X55 2/20 0.64
EHMT2 Q96KQ7 2/20 0.64
TRDMT1 O14717 1/20 0.64
PRMT5 O14744 1/20 0.64
SUV39H1 O43463 1/20 0.64
PRMT3 O60678 1/20 0.64
INMT O95050 1/20 0.64
NSD2 O96028 1/20 0.64
NNMT P40261 1/20 0.64
HNMT P50135 1/20 0.64
WDR5 P61964 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL7054700 1.00 GNMT (0.74) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL6902821 1.00 GNMT (0.74) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL6907266 0.90 GNMT (0.74) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL17551942 0.90 GNMT (0.80) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL9550942 0.90 GNMT (0.80) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL19434095 0.90 GNMT (0.80) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL6901855 0.90 GNMT (0.80) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL7154290 0.88 GNMT (0.73) GNMTAHCYNADKDOT1LDNMT3B
SCHEMBL17909992 0.85 ADORA2A (0.66) AHCYNADKDOT1LNNMTKMT2A
SCHEMBL21243035 0.84 DOT1L (0.84) AHCYNADKDOT1LDNMT3BPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed