SCHEMBL7991685

SCHEMBL7991685

CNCc1nc(O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
NR1H4 Q96RI1 6/20 0.39
MAP3K5 Q99683 1/20 0.35
NR1I2 O75469 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
F2R P25116 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
CCR9 P51686 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL7985465 0.99 ABCC8 (0.43) ABCC8KCNJ11NR1H4MAP3K5NR1I2
SCHEMBL7988035 0.87 SMN1; SMN2 (0.39) HPGDSMN1; SMN2ALDH1A1TP53YTHDC1
SCHEMBL7984468 0.87 ABCC8 (0.46) ABCC8KCNJ11NR1H4NR1I2EGLN3
SCHEMBL7985513 0.86 MET (0.43) HPGDSMN1; SMN2ALDH1A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7988141 0.86 SMN1; SMN2 (0.39) HPGDSMN1; SMN2ALDH1A1TP53YTHDC1
SCHEMBL7984746 0.86 ABCC8 (0.46) ABCC8KCNJ11NR1H4NR1I2EGLN3
SCHEMBL7984365 0.86 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1YTHDC1CYP11B1
Hydrochloric Acid SCHEMBL7988731 0.85 MET (0.42) HPGDSMN1; SMN2ALDH1A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7992066 0.85 HPGD (0.44) HPGDSMN1; SMN2ALDH1A1YTHDC1CYP11B1
SCHEMBL7985639 0.84 ABCC8 (0.44) ABCC8KCNJ11NR1H4NR1I2EGLN3

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