SCHEMBL7984466

SCHEMBL7984466

CNc1cccc(-c2nc3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 5/20 0.36
GNRHR P30968 2/20 0.36
NR1I2 O75469 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GAA P10253 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
SCHEMBL7974542 0.89 SMN1; SMN2 (0.53) HPGDALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7984864 0.89 ABCC8 (0.44) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7991397 0.88 ABCC8 (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7985008 0.88 ABCC8 (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7974275 0.87 HPGD (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7992261 0.87 TNKS (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7974486 0.86 SMN1; SMN2 (0.50) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7984474 0.86 ABCC8 (0.42) ABCC8KCNJ11NR1H4GNRHRNR1I2
SCHEMBL7988015 0.86 HPGD (0.43) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11
SCHEMBL7985594 0.85 GAA (0.48) HPGDALDH1A1SMN1; SMN2ABCC8KCNJ11

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