SCHEMBL27945824

SCHEMBL27945824

C=Cc1ccc2c(c1)Sc1c(C=C)cccc1N2CCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 2/20 0.39
▸ DRD3 P35462 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CDC25A P30304 10/20 0.33
▸ CES1 P23141 2/20 0.33
▸ PIM1 P11309 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
SCHEMBL27880193 1.00 PDF (0.39) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL15209398 0.86 ALDH1A1 (0.42) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL27897160 0.86 ALDH1A1 (0.42) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL27899206 0.86 ALDH1A1 (0.42) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL15602753 0.86 ALDH1A1 (0.42) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL15602814 0.86 ALDH1A1 (0.42) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL28910976 0.85 PDF (0.50) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL28910953 0.85 PDF (0.50) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL28910950 0.85 PDF (0.50) PDFDRD3KDM1AALDH1A1MAPT
SCHEMBL28910941 0.85 PDF (0.50) PDFDRD3KDM1AALDH1A1MAPT

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
CN-103450451-A Benzodifuran unit-containing polymer, preparation method of the benzodifuran unit-containing polymer, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2013-12-18 — — CN disclosed
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