SCHEMBL17593206

SCHEMBL17593206

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RXFP1 Q9HBX9 3/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL17593272 0.89 KDM4E (0.54) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593238 0.88 THRB (0.56) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593269 0.88 MAPK1 (0.60) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593243 0.86 KDM4E (0.62) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593082 0.81 KDM4E (0.54) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17592998 0.79 PHGDH (0.40) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17593069 0.76 TDP1 (0.58) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593156 0.75 KMT2A (0.57) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17592902 0.74 KDM4E (0.68) KDM4EKMT2AMEN1TDP1POLB
SCHEMBL17593004 0.73 POLB (0.48) TDP1POLBALDH1A1SMN1; SMN2

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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