SCHEMBL17548813

SCHEMBL17548813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ RECQL P46063 3/20 0.37
▸ BLM P54132 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL16407768 0.85 RECQL (0.38) MAOBMAOAAKT1RECQLBLM
SCHEMBL24848866 0.79 BLM (0.41) MAOBMAOAAKT1RECQLBLM
SCHEMBL14018442 0.79 POLB (0.37) MAOBMAOAAKT1RECQLBLM
SCHEMBL18380950 0.76 AKT1 (0.38) AKT1RECQLTSHRMAPTF2
SCHEMBL9696410 0.76 AKT1 (0.38) MAOBMAOAAKT1RECQLTSHR
SCHEMBL1071816 0.76 AKT1 (0.38) AKT1RECQLTSHRMAPTF2
SCHEMBL1071814 0.76 AKT1 (0.38) AKT1RECQLTSHRMAPTF2
SCHEMBL14275417 0.74 AKT1 (0.37) MAOBMAOAAKT1RECQLTSHR
SCHEMBL2553036 0.74 AKT1 (0.41) MAOBMAOAAKT1RECQLBLM
SCHEMBL20365747 0.74 AKT1 (0.37) MAOBMAOAAKT1RECQLTSHR

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
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 — — WO disclosed
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