SCHEMBL7992533

SCHEMBL7992533

CN(CC(=O)Nc1ncn(CCCc2ccccc2)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
SIGMAR1 Q99720 3/20 0.36
BUB1 O43683 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
CNOT7 Q9UIV1 1/20 0.35
P2RX3 P56373 1/20 0.34
MCL1 Q07820 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL7991771 0.95 KMT2A (0.39) GLSBUB1KDM4EALDH1A1HPGD
SCHEMBL7992102 0.89 HTR2C (0.41) GLSBUB1TSHRKDM4EALDH1A1
SCHEMBL7989013 0.81 TP53 (0.38) BUB1KDM4EALDH1A1KMT2AMCL1
SCHEMBL7987776 0.81 KDM4E (0.41) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7987693 0.81 TDP1 (0.34) BUB1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7974052 0.81 KDM4E (0.42) KDM4EHTR2CSLC6A4POLBMAPK1
SCHEMBL7974138 0.81 KMT2A (0.52) TSHRKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL7991770 0.80 HTR2C (0.39) GLSSIGMAR1BUB1TSHRHTR2C
SCHEMBL7974433 0.80 TP53 (0.40) KMT2AAURKARPS6KB1
SCHEMBL7984765 0.80 GRM2 (0.36) BUB1KDM4EALDH1A1KMT2ALMNA

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