SCHEMBL7975231

SCHEMBL7975231

CN(Cc1nc2ncn(Cc3ccccc3F)c2c(=O)[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MCL1 Q07820 1/20 0.37
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
KMT2A Q03164 2/20 0.36
P2RX3 P56373 1/20 0.36
MEN1 O00255 1/20 0.36
RIPK1 Q13546 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 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
SCHEMBL7985463 0.88 HPGD (0.52) CACNA1GCACNA1BCACNA1CHPGDALDH1A1
SCHEMBL7974303 0.86 HPGD (0.42) CACNA1GCACNA1BCACNA1CHPGDLMNA
SCHEMBL7975225 0.86 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CLMNATP53
SCHEMBL7987946 0.84 HPGD (0.42) CACNA1GCACNA1BCACNA1CHPGDLMNA
SCHEMBL7992290 0.83 HPGD (0.42) CACNA1GCACNA1BCACNA1CHPGDLMNA
SCHEMBL7991611 0.83 HPGD (0.42) CACNA1GCACNA1BCACNA1CHPGDLMNA
SCHEMBL7975222 0.82 MCL1 (0.39) LMNATP53POLBALDH1A1MCL1
SCHEMBL7988125 0.82 HPGD (0.43) CACNA1GCACNA1BCACNA1CHPGDALDH1A1
SCHEMBL7985320 0.81 LMNA (0.47) CACNA1GCACNA1BCACNA1CHPGDLMNA
SCHEMBL7988933 0.81 GAA (0.44) CACNA1GCACNA1BCACNA1CHPGDTP53

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