SCHEMBL7991691

SCHEMBL7991691

CNCc1nc2ncn(Cc3ccc(C(C)(C)C)cc3)c2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL7985468 0.99 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984464 0.88 ABCC8 (0.50) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7988041 0.88 SMN1; SMN2 (0.47) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL7985510 0.87 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7988136 0.87 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL7984363 0.86 SMN1; SMN2 (0.59) HPGDALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7988727 0.86 HPGD (0.46) HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL7984742 0.86 ABCC8 (0.48) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7992062 0.85 SMN1; SMN2 (0.58) HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL7985636 0.85 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