SCHEMBL7991771

SCHEMBL7991771

CN(CC(=O)Nc1ncn(CCc2ccccc2)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GLS O94925 1/20 0.38
BUB1 O43683 1/20 0.38
P2RX3 P56373 1/20 0.37
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CNOT7 Q9UIV1 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 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
SCHEMBL7992533 0.95 GLS (0.38) KMT2AGLSBUB1P2RX3HTR2C
SCHEMBL7992102 0.91 HTR2C (0.41) KMT2AGLSBUB1HTR2CSLC6A4
SCHEMBL7989013 0.83 TP53 (0.38) KMT2ABUB1ALDH1A1KDM4EMCL1
SCHEMBL7987693 0.83 TDP1 (0.34) KMT2ABUB1HTR2CSLC6A4ALDH1A1
SCHEMBL7974052 0.83 KDM4E (0.42) HTR2CSLC6A4KDM4EMAPT
SCHEMBL7974433 0.82 TP53 (0.40) KMT2AMAPTAURKARPS6KB1
SCHEMBL7988995 0.82 NR1H4 (0.38) BUB1
SCHEMBL7984765 0.82 GRM2 (0.36) KMT2ABUB1ALDH1A1KDM4ELMNA
SCHEMBL7974264 0.82 HTR2C (0.40) GLSBUB1HTR2CSLC6A4MCL1
SCHEMBL7987776 0.81 KDM4E (0.41) KMT2AHTR2CSLC6A4ALDH1A1KDM4E

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