SCHEMBL13979780

SCHEMBL13979780

CCCCOc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccc(F)cc3)[nH]c2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 8/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.43
▸ FAAH O00519 8/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL14399876 0.90 SERPINE1 (0.55) SERPINE1HRH3MAPT
SCHEMBL14399854 0.89 SERPINE1 (0.47) SERPINE1HRH3MAPTKMT2A
SCHEMBL13979781 0.89 SERPINE1 (0.49) SERPINE1HRH3PIM1PIM2MAPT
SCHEMBL13979764 0.89 SERPINE1 (0.49) SERPINE1HRH3MAPTKMT2A
SCHEMBL14399873 0.88 SERPINE1 (0.57) SERPINE1HRH3MAPTKMT2A
SCHEMBL13979779 0.88 SERPINE1 (0.57) SERPINE1HRH3MAPTKMT2A
SCHEMBL14400074 0.84 SERPINE1 (0.45) SERPINE1HRH3MAPTKMT2A
SCHEMBL30712993 0.84 SERPINE1 (0.42) SERPINE1HRH3MAPTKMT2A
SCHEMBL14400068 0.84 SERPINE1 (0.45) SERPINE1HRH3MAPT
SCHEMBL14399877 0.82 SERPINE1 (0.42) SERPINE1HRH3MAPTHPGDKMT2A

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
EP-1282609-B1 PIPERAZINEDIONE COMPOUNDS ANGIORX CORP (TW) 2008-12-17 — — EP disclosed
US-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 — — US disclosed
Send feedback