SCHEMBL11230059

SCHEMBL11230059

O=C1/C=C\c2ccccc2/C=C\N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL11230064 1.00 MAPT (0.37) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL10783521 0.77 GSK3B (0.61) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL5048603 0.77 GSK3B (0.61) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL616019 0.72 — —
SCHEMBL3767165 0.69 MAPT (0.53) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL33554 0.69 — —
SCHEMBL29398195 0.69 — —
SCHEMBL29375766 0.69 MAPT (0.53) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL29418986 0.69 MAPT (0.53) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL27566643 0.69 MAPT (0.53) MAPTGAAKDM4EMEN1ALDH1A1

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-4332810-A N-(Substituted)-2,5-ethano-8-hydroxy (or methoxy)-1,2,3,4,5,6-hexahydro-3 (or 4)-benzazocine centrally-acting analgesics MERCK & CO., INC. (US) 1982-06-01 — — US disclosed
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