SCHEMBL17593156

SCHEMBL17593156

Cn1nc(-c2ccccc2O)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ DPP4 P27487 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
SCHEMBL17593243 0.88 KDM4E (0.62) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593069 0.77 TDP1 (0.58) KMT2AKDM4EMEN1TDP1POLB
SCHEMBL17593269 0.77 MAPK1 (0.60) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593082 0.76 KDM4E (0.54) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593272 0.76 KDM4E (0.54) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593216 0.76 L3MBTL1 (0.57) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593238 0.76 THRB (0.56) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593206 0.75 KDM4E (0.53) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17592902 0.74 KDM4E (0.68) KMT2AKDM4EMEN1TDP1L3MBTL1
SCHEMBL17593247 0.72 TSHR (0.59) KMT2AKDM4EMEN1TDP1POLB

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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