SCHEMBL7987486

SCHEMBL7987486

NC(=O)c1c(NC(=O)c2cccc(OCCN3CCOCC3)c2)ncn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
KDR P35968 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLS O94925 2/20 0.46
EPHX2 P34913 2/20 0.46
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPK14 Q16539 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7989387 0.91 ALDH1A1 (0.51) KDM4EAURKAKDRSMN1; SMN2EPHX2
SCHEMBL7984687 0.84 NR1H4 (0.52) TP53TSHRMEN1KMT2A
SCHEMBL7984965 0.82 ALDH1A1 (0.57) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL7974205 0.82 NR1H4 (0.52) MEN1KMT2A
SCHEMBL7984937 0.81 ADORA3 (0.52) KDM4EROCK2MEN1KMT2ALMNA
SCHEMBL7975241 0.78 GAA (0.50) TSHRLMNASMN1; SMN2HDAC1
SCHEMBL7984492 0.77 ADORA2A (0.53) KDM4EAURKAAURKB
SCHEMBL7985033 0.77 NLRP3 (0.46) KDM4ETP53AURKAMEN1KMT2A
SCHEMBL7984200 0.77 SMN1; SMN2 (0.53) TP53TSHRAURKARPS6KB1KDR
SCHEMBL7985340 0.76 NTRK1 (0.51) MEN1KMT2ALMNASMN1; 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