SCHEMBL7991770

SCHEMBL7991770

CN(CCCC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
LTA4H P09960 2/20 0.37
BUB1 O43683 2/20 0.37
GLS O94925 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 2/20 0.35
FLT3 P36888 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL7974264 0.95 HTR2C (0.40) HTR2CSLC6A4LTA4HBUB1GLS
SCHEMBL7992102 0.89 HTR2C (0.41) HTR2CSLC6A4BUB1GLSGAA
SCHEMBL7985807 0.84 CA1 (0.46) SIGMAR1HDAC1HDAC2HDAC8
SCHEMBL7987776 0.83 KDM4E (0.41) HTR2CSLC6A4GAAPKMTSHR
SCHEMBL8056336 0.82 PKM (0.36) HTR2CSLC6A4GAAPKMTSHR
SCHEMBL7984483 0.81 TLR7 (0.43) GAAPKMTSHRSIGMAR1
SCHEMBL7987693 0.81 TDP1 (0.34) HTR2CSLC6A4BUB1GAAAAK1
SCHEMBL7991771 0.81 KMT2A (0.39) HTR2CSLC6A4BUB1GLSMCL1
SCHEMBL7974052 0.81 KDM4E (0.42) HTR2CSLC6A4
SCHEMBL7991550 0.81 GAA (0.45) GAAPKMTSHRHDAC1HDAC2

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 1 patent. 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