SCHEMBL7984474

SCHEMBL7984474

CNc1cccc(-c2nc(=O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
NR1H4 Q96RI1 5/20 0.37
CNOT7 Q9UIV1 2/20 0.36
PARN O95453 1/20 0.36
NR1I2 O75469 1/20 0.36
GNRHR P30968 3/20 0.34
P2RX7 Q99572 1/20 0.33
METAP2 P50579 1/20 0.33
PPARA Q07869 1/20 0.33
SERPINE1 P05121 1/20 0.33
TACR2 P21452 1/20 0.33
HRH2 P25021 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL7974551 0.89 CNOT7 (0.47) CNOT7PARNP2RX7
SCHEMBL7985012 0.89 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7991403 0.89 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7984871 0.88 ABCC8 (0.45) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7992270 0.88 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7974282 0.88 ABCC8 (0.43) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7974492 0.87 ABCC8 (0.47) ABCC8KCNJ11NR1H4CNOT7PARN
SCHEMBL7988017 0.87 KDM4E (0.43) ABCC8KCNJ11HDAC6
SCHEMBL7984466 0.86 HPGD (0.42) ABCC8KCNJ11NR1H4NR1I2GNRHR
SCHEMBL7985602 0.86 SERPINE1 (0.45) ABCC8KCNJ11P2RX7SERPINE1HDAC6

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