SCHEMBL7992102

SCHEMBL7992102

CN(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
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
BUB1 O43683 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MCL1 Q07820 1/20 0.37
GLS O94925 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7991771 0.91 KMT2A (0.39) HTR2CSLC6A4BUB1MCL1GLS
SCHEMBL7987693 0.91 TDP1 (0.34) HTR2CSLC6A4GAABUB1KDM4E
SCHEMBL7974052 0.91 KDM4E (0.42) HTR2CSLC6A4KDM4EL3MBTL1
SCHEMBL7984765 0.91 GRM2 (0.36) BUB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7988995 0.91 NR1H4 (0.38) BUB1
SCHEMBL7974264 0.91 HTR2C (0.40) HTR2CSLC6A4GAAPKMTSHR
SCHEMBL7987776 0.90 KDM4E (0.41) HTR2CSLC6A4GAAPKMTSHR
SCHEMBL7991770 0.89 HTR2C (0.39) HTR2CSLC6A4GAAPKMTSHR
SCHEMBL7992533 0.89 GLS (0.38) HTR2CSLC6A4TSHRBUB1MCL1
SCHEMBL7974433 0.89 TP53 (0.40) OPRD1OPRK1AURKARPS6KB1MEN1

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