SCHEMBL7985506

SCHEMBL7985506

NC(=O)c1c(NC(=O)c2ccccn2)ncn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL7975241 0.88 GAA (0.50) GAAPKMTSHRSMN1; SMN2HDAC3
SCHEMBL7985682 0.86 GAA (0.46) GAAPKMTSHRHTTKDM4E
SCHEMBL7988350 0.84 GAA (0.51) GAAPKMTSHRHTTKDM4E
SCHEMBL7988029 0.83 IDO1 (0.47) GAAPKMTSHRSMN1; SMN2HDAC3
SCHEMBL7992520 0.83 POLB (0.47) GAAPKMTSHRHTTKDM4E
SCHEMBL7985255 0.82 ALDH1A1 (0.51) GAAPKMTSHRHTTKDM4E
SCHEMBL7991521 0.82 ADORA3 (0.47) GAAPKMTSHRHTTKDM4E
SCHEMBL7991565 0.81 TSHR (0.49) GAAPKMTSHRHTTKDM4E
SCHEMBL7987683 0.81 LMNA (0.50) GAAPKMTSHRHTTKDM4E
SCHEMBL7992192 0.81 HSD17B13 (0.46) GAAPKMTSHRKDM4EMAPT

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed