SCHEMBL7985602

SCHEMBL7985602

COc1cccc(-c2nc(=O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
DUT P33316 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 3/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL7991545 0.90 TSHR (0.48) TP53RXFP1GAAMAPTAURKA
SCHEMBL7974586 0.89 GAA (0.52) TP53RXFP1GAAMAPTP2RX7
SCHEMBL7974195 0.89 GAA (0.48) TP53RXFP1GAAMAPTP2RX7
SCHEMBL7985852 0.88 TP53 (0.52) TP53RXFP1GAAMAPTAURKA
SCHEMBL7985012 0.88 ABCC8 (0.43) ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7991403 0.88 ABCC8 (0.43) TP53ABCC8KCNJ11MAPT
SCHEMBL7992270 0.87 ABCC8 (0.43) ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7974282 0.87 ABCC8 (0.43) SERPINE1ABCC8KCNJ11HDAC1HDAC6
SCHEMBL7974492 0.86 ABCC8 (0.47) RXFP1GAAABCC8KCNJ11HDAC6
SCHEMBL7991877 0.86 P2RX7 (0.47) TP53RXFP1GAAMAPTP2RX7

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