SCHEMBL7985500

SCHEMBL7985500

CC(C)(C)c1ccc(Cn2cnc(NC(=O)c3ccncc3)c2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.48
FLT1 P17948 4/20 0.48
KDR P35968 4/20 0.48
EPHX2 P34913 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
FBP1 P09467 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL7984694 0.90 NR1H4 (0.53) NR1H4EPHX2RAB9ANPC1FBP1
SCHEMBL7984257 0.89 RAB9A (0.48) NR1H4MAPTRAB9ANPC1TP53
SCHEMBL7991372 0.88 NR1H4 (0.49) NR1H4EPHX2TP53FBP1ALDH1A1
SCHEMBL7986413 0.87 HTT (0.52) RAB9ASMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL7985682 0.87 GAA (0.46) FLT1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7986770 0.84 NR1H4 (0.48) NR1H4MAPTRAB9ANPC1TP53
SCHEMBL7984711 0.84 ABCC8 (0.44) NR1H4FLT1KDREPHX2RAB9A
SCHEMBL7985799 0.83 NR1H4 (0.47) NR1H4TP53
SCHEMBL7986341 0.82 GSK3B (0.43) NR1H4FLT1KDREPHX2ABCC8
SCHEMBL7984668 0.82 POLB (0.49) NR1H4MAPTRAB9ANPC1SMN1; 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 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