SCHEMBL7984694

SCHEMBL7984694

CC(C)(C)c1ccc(Cn2cnc(NC(=O)c3ccccc3)c2C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.53
ESRRG P62508 1/20 0.44
EPHX2 P34913 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
FBP1 P09467 1/20 0.42
NR1I2 O75469 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41

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
SCHEMBL7985500 0.90 NR1H4 (0.48) NR1H4EPHX2RAB9ANPC1ALDH1A1
SCHEMBL7984257 0.90 RAB9A (0.48) NR1H4RAB9AMEN1NPC1ALDH1A1
SCHEMBL7975241 0.90 GAA (0.50) RAB9ANPC1RXFP1HDAC1HDAC6
SCHEMBL7991372 0.89 NR1H4 (0.49) NR1H4EPHX2ALDH1A1FBP1HDAC1
SCHEMBL7984668 0.89 POLB (0.49) NR1H4RAB9ANPC1ALDH1A1
SCHEMBL7986770 0.89 NR1H4 (0.48) NR1H4RAB9ANPC1ALDH1A1HDAC1
SCHEMBL7985799 0.88 NR1H4 (0.47) NR1H4HDAC1HDAC6LMNAAURKA
SCHEMBL7974581 0.88 LMNA (0.51) RAB9AMEN1NPC1ALDH1A1KMT2A
SCHEMBL7988763 0.87 NR1H4 (0.43) NR1H4RAB9ANPC1ALDH1A1HDAC1
SCHEMBL7973841 0.87 RAB9A (0.47) RAB9AMEN1NPC1ALDH1A1KMT2A

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