SCHEMBL17593269

SCHEMBL17593269

CCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ KDM4E B2RXH2 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ POLB P06746 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CNR1 P21554 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL17593272 0.89 KDM4E (0.54) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593238 0.89 THRB (0.56) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593243 0.88 KDM4E (0.62) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593206 0.88 KDM4E (0.53) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593082 0.85 KDM4E (0.54) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593069 0.77 TDP1 (0.58) MAPK1KDM4EKMT2AMEN1TDP1
SCHEMBL28124050 0.77 ALDH1A1 (0.62) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593156 0.77 KMT2A (0.57) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL17593117 0.76 PHGDH (0.81) GAAKDM4EKMT2AMEN1POLB
SCHEMBL17592902 0.76 KDM4E (0.68) MAPK1GAAKDM4EKMT2AMEN1

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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