SCHEMBL27990412

SCHEMBL27990412

NC(=O)CCc1ccc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HTT P42858 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ PKM P14618 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ MAPK1 P28482 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ HPSE Q9Y251 1/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL27990409 0.80 ALDH1A1 (0.75) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL13826533 0.77 ALDH1A1 (0.49) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL27990140 0.77 NPC1 (0.46) MAPTALDH1A1HTTHPGDPKM
SCHEMBL805163 0.74 ALDH1A1 (0.46) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL27990410 0.72 HTT (0.46) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL13719298 0.71 MAPT (0.45) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL31346720 0.71 PDPK1 (0.54) ALDH1A1HTTHPGDMAPK1POLB
SCHEMBL2849945 0.71 PDPK1 (0.54) ALDH1A1HTTHPGDMAPK1POLB
SCHEMBL14654432 0.70 ALDH1A1 (0.76) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL30775594 0.70 ALDH1A1 (0.66) MAPTALDH1A1HTTKDM4EHPGD

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-103012381-B Benzofuran compound, preparation method thereof and application of benzofuran compound in preparation of antiarrhythmic drugs UNIV SHANDONG 2015-01-07 — — CN disclosed
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