SCHEMBL7984727

SCHEMBL7984727

CN(C(=O)OC(C)(C)C)c1ccc(-c2nc3ncn(Cc4ccc(C(C)(C)C)cc4)c3c(=O)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1H4 Q96RI1 3/20 0.36
KMT2A Q03164 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
GNRHR P30968 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PARP1 P09874 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL7985473 0.91 HPGD (0.49) HPGDPAX8ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7988789 0.90 BRD4 (0.40) HPGDABCC8KCNJ11PAX8ALDH1A1
SCHEMBL7984731 0.86 ABCC8 (0.39) ABCC8KCNJ11PAX8NR1H4GNRHR
SCHEMBL7984728 0.83 NR1H4 (0.41) ABCC8KCNJ11PAX8ALDH1A1NR1H4
SCHEMBL7974152 0.82 HPGD (0.47) HPGDPAX8ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7988517 0.82 ABCC8 (0.47) HPGDABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7987359 0.81 TNKS (0.48) HPGDABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7992290 0.81 HPGD (0.42) HPGDABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7974486 0.81 SMN1; SMN2 (0.50) HPGDABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7984930 0.80 ABCC8 (0.47) HPGDABCC8KCNJ11ALDH1A1SMN1; 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