SCHEMBL8323952

SCHEMBL8323952

COc1cc(OC)nc(C(=O)c2nccc(-c3cccs3)c2C(=O)O)n1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
TLR9 Q9NR96 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8323945 0.88 HCRTR1 (0.41) HCRTR1HCRTR2LMNACRHBPKMT2A
SCHEMBL8323690 0.78 NPC1 (0.40) HCRTR1HCRTR2KDM4E
SCHEMBL9464752 0.76 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL9754376 0.73 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL8322330 0.71 PRKCZ (0.40) HCRTR1HCRTR2LMNAKMT2AL3MBTL1
SCHEMBL8435724 0.70 KDM4E (0.53) HCRTR1HCRTR2LMNAKMT2AL3MBTL1
SCHEMBL8323070 0.68 MAPT (0.42) HCRTR1HCRTR2LMNAKMT2AL3MBTL1
SCHEMBL8810479 0.68 ALDH1A1 (0.53) HCRTR1HCRTR2KMT2AL3MBTL1KDM4E
SCHEMBL8323688 0.67 CSNK2A1 (0.38) HCRTR1HCRTR2LMNAKMT2AL3MBTL1
SCHEMBL8809985 0.65 KDM4E (0.49) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752424-B1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-06-16 EP disclosed
US-5877120-A Nicotinic acid derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-03-02 US disclosed
EP-0752424-A1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-01-08 EP disclosed