SCHEMBL7984746

SCHEMBL7984746

CCCc1nc(O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
NR1H4 Q96RI1 6/20 0.39
NR1I2 O75469 1/20 0.36
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CCR9 P51686 2/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
F2R P25116 1/20 0.33
MET P08581 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRG P62508 1/20 0.32

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
SCHEMBL7984468 0.92 ABCC8 (0.46) ABCC8KCNJ11NR1H4NR1I2HSP90AA1
SCHEMBL7985639 0.91 ABCC8 (0.44) ABCC8KCNJ11NR1H4NR1I2HSP90AA1
SCHEMBL7989377 0.86 LMNA (0.44) TLR7HPGDCYP11B1CYP11B2MET
SCHEMBL7991685 0.86 ABCC8 (0.44) ABCC8KCNJ11NR1H4NR1I2HSP90AA1
SCHEMBL7988957 0.85 MET (0.45) TLR7HPGDCYP11B1CYP11B2MET
Hydrochloric Acid SCHEMBL7985465 0.85 ABCC8 (0.43) ABCC8KCNJ11NR1H4NR1I2HSP90AA1
SCHEMBL7989407 0.85 HPGD (0.44) NR1I2HPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL7974256 0.84 CNOT7 (0.40) TLR7HPGDCYP11B1METALDH1A1
SCHEMBL7985733 0.83 MEN1 (0.47) NR1H4HPGDALDH1A1SMN1; SMN2
SCHEMBL7987609 0.80 PDE4A (0.43) HPGDCYP11B1CYP11B2ALDH1A1SMN1; 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