SCHEMBL7986770

SCHEMBL7986770

CC(C)(C)c1ccc(Cn2cnc(NC(=O)c3cccc(F)c3)c2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
ICMT O60725 1/20 0.44
USP2 O75604 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 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
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL7985799 0.90 NR1H4 (0.47) NR1H4TP53HDAC1HDAC6KCNQ3
SCHEMBL7991586 0.89 SMN1; SMN2 (0.49) SMN1; SMN2USP2NPC1RAB9ANFKB1
SCHEMBL7991372 0.89 NR1H4 (0.49) NR1H4ALDH1A1TP53HDAC3HDAC4
SCHEMBL7984694 0.89 NR1H4 (0.53) NR1H4NPC1RAB9AALDH1A1HDAC3
SCHEMBL7984200 0.88 SMN1; SMN2 (0.53) SMN1; SMN2USP2NPC1RAB9ANFKB1
SCHEMBL7985500 0.84 NR1H4 (0.48) NR1H4SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL7988506 0.84 NTRK1 (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7984257 0.84 RAB9A (0.48) NR1H4SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL7973841 0.83 RAB9A (0.47) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL7988763 0.83 NR1H4 (0.43) NR1H4SMN1; SMN2NPC1RAB9ANFKB1

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