SCHEMBL9617481

SCHEMBL9617481

Nc1cccc2c1nnn2C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 7/20 0.39
MGAM O43451 6/20 0.39
AMY1A P0DUB6 6/20 0.39
SI P14410 6/20 0.39
MGAM2 Q2M2H8 6/20 0.39
F2 P00734 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SLC9A1 P19634 1/20 0.39
MMP2 P08253 1/20 0.34
ADORA2A P29274 3/20 0.34
ESRRA P11474 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
KCNMA1 Q12791 1/20 0.33
ADORA1 P30542 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
F12 P00748 2/20 0.33
DGAT1 O75907 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
SCHEMBL4310543 0.85 KDM4E (0.39) KDM4EGAAMGAMAMY1ASI
SCHEMBL2032632 0.79 GAA (0.41) KDM4EGAAMGAMAMY1ASI
SCHEMBL16600359 0.79 GAA (0.39) KDM4EGAAMGAMAMY1ASI
SCHEMBL7636077 0.76 GAA (0.36) GAAMGAMAMY1ASIMGAM2
SCHEMBL564689 0.74 POLB (0.48) KDM4EGAAKMT2AHPGDADORA2A
SCHEMBL451898 0.72 GAA (0.37) KDM4EGAAMGAMAMY1ASI
SCHEMBL3806194 0.72 CYP3A4 (0.50) KDM4EGAAKMT2AHPGDADORA2A
SCHEMBL170673 0.71 GAA (0.71) KDM4EGAAMGAMAMY1ASI
SCHEMBL31474375 0.71 SLC9A1 (0.48) KDM4EHPGDSLC9A1
SCHEMBL4635179 0.71 SLC9A1 (0.48) KDM4EHPGDSLC9A1

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
JP-4041688-A None JP disclosed
JP-H0441688-A WATER SOLUBLE THERMOCHROMISM INHIBITOR CHIYODA KAGAKU KENKYUSHO:KK 1992-02-12 JP disclosed