SCHEMBL12700597

SCHEMBL12700597

C=C/C=C\C=C/C=C\C=C(/C=C)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL22183029 0.86 FAAH (0.46) FAAHPHGDHMGLLCA12CA1
SCHEMBL20433997 0.85 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL12700572 0.82 FAAH (0.35) FAAHPHGDHMGLLCA12CA1
SCHEMBL12700553 0.82 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL22067652 0.81 NPSR1 (0.38) L3MBTL1KMT2AHTTMEN1POLB
SCHEMBL23308929 0.79 FAAH (0.43) FAAHPHGDHMGLLCA12CA1
SCHEMBL20341419 0.78 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL18436868 0.76 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL16500988 0.73 NPSR1 (0.34) FAAHPHGDHMGLLL3MBTL1KMT2A
SCHEMBL20670766 0.73 — —

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-0891121-B1 ORGANIC ELECTROLUMINESCENT ELEMENTS TDK CORP (JP) 2012-09-26 — — EP disclosed
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