SCHEMBL7984221

SCHEMBL7984221

CC(C)(C)CC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
ADRA1D P25100 1/20 0.39
BRS3 P32247 1/20 0.39
MMP13 P45452 1/20 0.38
LMNA P02545 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL7991565 0.87 TSHR (0.49) GAAPKMTSHRHPGDKMT2A
SCHEMBL7985832 0.85 TSHR (0.47) GAAPKMTSHRRAB9ANPC1
SCHEMBL7987555 0.85 GAA (0.47) GAAPKMTSHRPOLBMAPT
SCHEMBL7988350 0.84 GAA (0.51) GAAPKMTSHRPOLBHPGD
SCHEMBL7991550 0.83 GAA (0.45) GAAPKMTSHRPOLBHPGD
SCHEMBL7987935 0.82 XDH (0.47) GAAPKMTSHRPOLBNPC1
SCHEMBL7975241 0.81 GAA (0.50) GAAPKMTSHRRAB9APOLB
SCHEMBL7988641 0.81 KMT2A (0.44) GAAPKMTSHRRAB9ANPC1
SCHEMBL7984483 0.80 TLR7 (0.43) GAAPKMTSHRPOLBKDM4E
SCHEMBL7992102 0.80 HTR2C (0.41) GAAPKMTSHRHPGDMEN1

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