SCHEMBL7985012

SCHEMBL7985012

CC(C)(C)c1ccc(Cn2cnc3[nH]c(-c4cccc(Cl)c4)nc(=O)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP1 P24666 1/20 0.41
NR1H4 Q96RI1 4/20 0.38
PARN O95453 1/20 0.38
CNOT7 Q9UIV1 1/20 0.38
CXCR2 P25025 1/20 0.38
PIN1 Q13526 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.36
SLC9A1 P19634 1/20 0.36

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
SCHEMBL7991403 0.90 ABCC8 (0.43) ABCC8KCNJ11SMN1; SMN2NR1H4PARN
SCHEMBL7992270 0.89 ABCC8 (0.43) ABCC8KCNJ11ACP1NR1H4PARN
SCHEMBL7974282 0.89 ABCC8 (0.43) ABCC8KCNJ11NR1H4PARNCNOT7
SCHEMBL7991600 0.89 ACP1 (0.42) GLAHTTUBE2NSMN1; SMN2L3MBTL1
SCHEMBL7974492 0.89 ABCC8 (0.47) ABCC8KCNJ11HTTSMN1; SMN2NR1H4
SCHEMBL7988017 0.89 KDM4E (0.43) ABCC8KCNJ11HTTSMN1; SMN2CXCR2
SCHEMBL7984474 0.89 ABCC8 (0.42) ABCC8KCNJ11NR1H4PARNCNOT7
SCHEMBL7973628 0.88 SMN1; SMN2 (0.48) GLAHTTUBE2NSMN1; SMN2L3MBTL1
SCHEMBL7974015 0.88 PARN (0.49) GLAHTTUBE2NSMN1; SMN2L3MBTL1
SCHEMBL7985602 0.88 SERPINE1 (0.45) ABCC8KCNJ11HDAC1HDAC6

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