SCHEMBL13979779

SCHEMBL13979779

CCCCOc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 12/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.52
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL14399873 1.00 SERPINE1 (0.57) SERPINE1HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL14399854 0.91 SERPINE1 (0.47) SERPINE1HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL14399876 0.89 SERPINE1 (0.55) SERPINE1HRH3MAPT
SCHEMBL13979781 0.88 SERPINE1 (0.49) SERPINE1HRH3MEN1MAPTKMT2A
SCHEMBL13979764 0.88 SERPINE1 (0.49) SERPINE1HRH3MEN1MAPTKMT2A
SCHEMBL13979780 0.88 SERPINE1 (0.49) SERPINE1HRH3MAPTKMT2A
SCHEMBL14400073 0.88 SERPINE1 (0.47) SERPINE1HRH3CYP2D6MEN1MAPT
SCHEMBL14400071 0.88 SERPINE1 (0.45) SERPINE1HRH3CYP2D6MEN1KMT2A
SCHEMBL6380172 0.86 SERPINE1 (0.74) SERPINE1HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL6380170 0.86 SERPINE1 (0.74) SERPINE1HRH3CYP1A2CYP2C9CYP2C19

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
EP-1282609-B1 PIPERAZINEDIONE COMPOUNDS ANGIORX CORP (TW) 2008-12-17 — — EP disclosed
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