SCHEMBL7987776

SCHEMBL7987776

CCN(CC(=O)Nc1ncn(Cc2ccccc2)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MCL1 Q07820 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
P2RX7 Q99572 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL7992102 0.90 HTR2C (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7974264 0.84 HTR2C (0.40) GAAPKMTSHRCRHBPCRHR2
SCHEMBL8056336 0.83 PKM (0.36) KMT2AGAAPKMTSHRCRHBP
SCHEMBL7991770 0.83 HTR2C (0.39) GAAPKMTSHRCRHBPCRHR2
SCHEMBL7974052 0.81 KDM4E (0.42) KDM4EHTR2CSLC6A4
SCHEMBL7987693 0.81 TDP1 (0.34) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL7991771 0.81 KMT2A (0.39) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7992533 0.81 GLS (0.38) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8056968 0.80 BUB1 (0.38) GAAPKMTSHRCRHBPCRHR2
SCHEMBL7988995 0.80 NR1H4 (0.38)

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