SCHEMBL7974301

SCHEMBL7974301

CN(Cc1nc(=O)c2c(ncn2Cc2ccc(F)cc2)[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
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
CNOT7 Q9UIV1 2/20 0.35
PARN O95453 1/20 0.35
HTR2A P28223 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL7987945 0.92 CACNA1G (0.39) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7992288 0.91 ABCC8 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7985460 0.91 CNOT7 (0.45) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7975225 0.86 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988124 0.86 SMN1; SMN2 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7974303 0.85 HPGD (0.42) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988929 0.84 TP53 (0.43) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988921 0.82 CNOT7 (0.44) HTR2CSLC6A4CNOT7PARNSMN1; SMN2
SCHEMBL7991608 0.82 CNOT7 (0.47) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7974180 0.81 CNOT7 (0.44) HTR2CSLC6A4CNOT7PARNSMN1; 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