SCHEMBL17593188

SCHEMBL17593188

Nc1ncccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[nH]n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDE P14735 1/20 0.69
▸ PHGDH O43175 1/20 0.59
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ MAPT P10636 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TP53 P04637 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL17593329 0.87 IDE (0.68) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593234 0.86 IDE (0.67) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593316 0.84 IDE (0.67) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593117 0.84 PHGDH (0.81) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593045 0.82 IDE (1.00) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593266 0.79 IDE (0.60) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593104 0.76 MEN1 (0.76) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593240 0.72 NPC1 (0.60) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL17592960 0.72 LMNA (0.69) IDEPHGDHKMT2AMEN1MAPT
SCHEMBL17593284 0.71 KMT2A (0.62) KMT2AMEN1MAPTHPGDLMNA

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-2016040449-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
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