SCHEMBL7985645

SCHEMBL7985645

CC(C)(C)c1ccc(Cn2cnc3[nH]c(CCN)nc(=O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
CNOT7 Q9UIV1 3/20 0.38
PARN O95453 1/20 0.38
NR1H4 Q96RI1 5/20 0.36
SCN9A Q15858 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PNP P00491 1/20 0.34
BRD4 O60885 1/20 0.34
NR1I2 O75469 1/20 0.34
SCN5A Q14524 1/20 0.33
GRIN2C Q14957 1/20 0.33
ESRRG P62508 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7984748 0.90 ABCC8 (0.48) ABCC8KCNJ11CNOT7PARNNR1H4
SCHEMBL7984470 0.88 ABCC8 (0.50) ABCC8KCNJ11CNOT7PARNNR1H4
SCHEMBL7975139 0.88 CNOT7 (0.40) CNOT7PARNLMNAMAPK1MEN1
SCHEMBL7991686 0.86 ABCC8 (0.48) ABCC8KCNJ11CNOT7PARNNR1H4
SCHEMBL7974307 0.85 CNOT7 (0.40) CNOT7PARNLMNAMEN1KMT2A
SCHEMBL7985640 0.85 CNOT7 (0.53) CNOT7PARNKMT2APNPBRD4
Hydrochloric Acid SCHEMBL7985467 0.85 ABCC8 (0.47) ABCC8KCNJ11CNOT7PARNNR1H4
Hydrochloric Acid SCHEMBL7987619 0.84 CNOT7 (0.52) CNOT7PARNKMT2APNPBRD4
SCHEMBL7985636 0.83 ABCC8 (0.47) ABCC8KCNJ11NR1H4SCN9ALMNA
SCHEMBL7988524 0.82 ABCC8 (0.47) ABCC8KCNJ11CNOT7PARNNR1H4

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