SCHEMBL7984464

SCHEMBL7984464

CCc1nc2ncn(Cc3ccc(C(C)(C)C)cc3)c2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.39
BRD4 O60885 4/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
KDM1A O60341 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
MAPK1 P28482 1/20 0.36
SCN9A Q15858 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
SCHEMBL7984742 0.91 ABCC8 (0.48) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7991691 0.88 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7985636 0.88 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7987432 0.87 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL7985468 0.87 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984524 0.86 HPGD (0.52) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7988126 0.86 HPGD (0.49) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7975251 0.85 SMN1; SMN2 (0.60) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7973932 0.84 SMN1; SMN2 (0.53) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL8059820 0.83 HPGD (0.52) HPGDALDH1A1SMN1; SMN2KMT2ABRD4

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