SCHEMBL7989507

SCHEMBL7989507

CNCc1nc2ncn(Cc3cccc(F)c3)c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
DBH P09172 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
GAA P10253 1/20 0.37
CLPP Q16740 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
SCHEMBL7988361 0.88 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7984206 0.88 HPGD (0.46) HPGDALDH1A1SMN1; SMN2KMT2AGRIN1
SCHEMBL7987671 0.88 SMN1; SMN2 (0.48) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7985510 0.87 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7984363 0.87 SMN1; SMN2 (0.59) HPGDALDH1A1SMN1; SMN2KMT2AGAA
Hydrochloric Acid SCHEMBL7987800 0.87 HPGD (0.48) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7988482 0.86 PDE1A (0.46) HPGDALDH1A1SMN1; SMN2KMT2AGRIN1
Hydrochloric Acid SCHEMBL7988727 0.86 HPGD (0.46) HPGDALDH1A1SMN1; SMN2KMT2AKDM4E
Hydrochloric Acid SCHEMBL7992062 0.86 SMN1; SMN2 (0.58) HPGDALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7986360 0.86 GAA (0.51) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2

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