SCHEMBL7985636

SCHEMBL7985636

CC(C)(C)c1ccc(Cn2cnc3nc(CCN)[nH]c(=O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
BRD4 O60885 3/20 0.38
LMNA P02545 2/20 0.37
SCN9A Q15858 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
DHODH Q02127 1/20 0.35
MAPK1 P28482 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
KDM1A O60341 1/20 0.34

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 0.90 ABCC8 (0.48) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984464 0.88 ABCC8 (0.50) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7975136 0.88 HPGD (0.45) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7974302 0.85 SMN1; SMN2 (0.45) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7985634 0.85 SMN1; SMN2 (0.57) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
SCHEMBL7991691 0.85 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7987615 0.84 SMN1; SMN2 (0.56) HPGDALDH1A1SMN1; SMN2KMT2ABRD4
Hydrochloric Acid SCHEMBL7985468 0.84 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7985645 0.83 ABCC8 (0.47) ABCC8KCNJ11HPGDKMT2ABRD4
SCHEMBL7988517 0.82 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; 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