SCHEMBL7991372

SCHEMBL7991372

CC(C)(C)c1ccc(Cn2cnc(NC(=O)c3ccc(F)cc3)c2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.49
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
CACNA1H O95180 1/20 0.43
EPHX2 P34913 2/20 0.43
MAP3K5 Q99683 1/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RY14 Q15391 3/20 0.41
TP53 P04637 1/20 0.41
FBP1 P09467 1/20 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
SCHEMBL7984694 0.89 NR1H4 (0.53) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7985361 0.89 P2RY14 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7986770 0.89 NR1H4 (0.48) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7985500 0.88 NR1H4 (0.48) NR1H4EPHX2ALDH1A1TP53FBP1
SCHEMBL7973841 0.87 RAB9A (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7985255 0.87 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7986413 0.86 HTT (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7988763 0.85 NR1H4 (0.43) NR1H4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7985799 0.84 NR1H4 (0.47) NR1H4HDAC1HDAC6TP53
SCHEMBL7984257 0.84 RAB9A (0.48) NR1H4ALDH1A1TP53

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