SCHEMBL7984864

SCHEMBL7984864

CNc1ccc(-c2nc3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
KMT2A Q03164 1/20 0.40
GNRHR P30968 2/20 0.38
PARP1 P09874 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
NR1I2 O75469 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
SCHEMBL7988517 0.89 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984466 0.89 HPGD (0.42) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7987359 0.88 TNKS (0.48) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7974486 0.88 SMN1; SMN2 (0.50) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7974456 0.88 SMN1; SMN2 (0.55) HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL7984930 0.87 ABCC8 (0.47) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7984871 0.85 ABCC8 (0.45) ABCC8KCNJ11ALDH1A1TNKSTNKS2
SCHEMBL7985008 0.81 ABCC8 (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7974236 0.81 ABCC8 (0.43) ABCC8KCNJ11HPGDALDH1A1SMN1; SMN2
SCHEMBL7991397 0.81 ABCC8 (0.43) 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