SCHEMBL14399876

SCHEMBL14399876

CCCCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccc(OC)cc3)[nH]c2=O)nc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 9/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ALOX5 P09917 2/20 0.41
▸ AHR P35869 1/20 0.40
▸ MCHR1 Q99705 2/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL14399854 0.90 SERPINE1 (0.47) SERPINE1HRH3MAPT
SCHEMBL13979781 0.90 SERPINE1 (0.49) SERPINE1HRH3ALOX5MAPT
SCHEMBL13979780 0.90 SERPINE1 (0.49) SERPINE1HRH3MAPT
SCHEMBL13979764 0.90 SERPINE1 (0.49) SERPINE1HRH3MAPT
SCHEMBL14399873 0.89 SERPINE1 (0.57) SERPINE1HRH3MAPT
SCHEMBL13979779 0.89 SERPINE1 (0.57) SERPINE1HRH3MAPT
SCHEMBL6380223 0.88 SERPINE1 (0.67) SERPINE1HRH3ALOX5AHRMAPT
SCHEMBL6380230 0.88 SERPINE1 (0.67) SERPINE1HRH3ALOX5AHRMAPT
SCHEMBL14400074 0.85 SERPINE1 (0.45) SERPINE1HRH3MAPT
SCHEMBL14400068 0.84 SERPINE1 (0.45) SERPINE1HRH3MAPT

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-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 — — US disclosed
Send feedback