SCHEMBL16498235

SCHEMBL16498235

COC(=O)c1cc(Cl)ccc1OCCCC#N

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ ABL1 P00519 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NLRP1 Q9C000 1/20 0.44

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
SCHEMBL11129614 0.85 ABL1 (0.48) MAPTABL1
SCHEMBL2796366 0.83 MAPT (0.52) MAPTABL1S1PR4HPGD
SCHEMBL1154092 0.83 KDM4E (0.54) MAPTABL1S1PR4HPGD
SCHEMBL3654708 0.83 — —
SCHEMBL2799514 0.82 MAPT (0.55) MAPTABL1S1PR4HPGD
SCHEMBL6421995 0.82 SLC6A4 (0.51) MAPTABL1S1PR4HPGD
SCHEMBL4360418 0.82 LMNA (0.51) MAPTABL1S1PR4HPGD
SCHEMBL1505120 0.82 S1PR4 (0.52) MAPTABL1S1PR4HPGD
SCHEMBL929622 0.82 MAPT (0.50) MAPTABL1S1PR4HPGD
Hydrochloric Acid SCHEMBL1505095 0.81 MAPT (0.50) MAPTABL1S1PR4HPGDNLRP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151651-A1 BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2011-12-08 — — WO disclosed
WO-2011151651-A1 BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2011-12-08 — — WO disclosed
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