SCHEMBL27990410

SCHEMBL27990410

CCC(=O)NCc1ccc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ HSD11B1 P28845 1/20 0.42
▸ HPSE Q9Y251 1/20 0.42

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
SCHEMBL805163 0.77 ALDH1A1 (0.46) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL29288168 0.75 HSD17B2 (0.41) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL29288167 0.75 HSD17B2 (0.41) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL13826533 0.74 ALDH1A1 (0.49) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL17914676 0.73 ALDH1A1 (0.62) LMNAMAPTALDH1A1MAPK1RAB9A
SCHEMBL27990412 0.72 MAPT (0.49) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL27990140 0.71 NPC1 (0.46) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL13719298 0.71 MAPT (0.45) HTTS1PR2S1PR4LMNANPSR1
SCHEMBL6875538 0.70 SLC2A1 (0.43) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL27357988 0.70 PKM (0.52) HTTMAPTALDH1A1KDM4EHPGD

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
Send feedback