Sugi Predict

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Pexantel

Pexantel

SCHEMBL5698680

CN1CCN(C(=O)C2CCCCC2)CC1.COc1ccccc1C(C#N)NC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHRM3 P20309 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4898705 0.83 CTSK (0.73) CTSSCTSKKDM4ETDP1
SCHEMBL4895669 0.83 CTSK (0.73) CTSSCTSKKDM4ETDP1
SCHEMBL4898712 0.83 CTSK (0.73) CTSSCTSKKDM4ETDP1
SCHEMBL4898805 0.73 CTSK (0.70) CTSSCTSK
SCHEMBL4898169 0.72 CTSS (0.61) CTSSCTSKMEN1KMT2ALMNA
SCHEMBL4898191 0.72 CTSS (0.61) CTSSCTSKMEN1KMT2ALMNA
SCHEMBL4898182 0.72 CTSS (0.61) CTSSCTSKMEN1KMT2ALMNA
SCHEMBL4889472 0.72 CTSK (0.77) CTSSCTSKMEN1KMT2ALMNA
SCHEMBL4897875 0.71 CTSK (0.64) CTSSCTSKMEN1KMT2ATSHR
SCHEMBL4897335 0.70 CTSK (1.00) CTSSCTSK

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
EP-1532124-B1 Use of nitrile derivatives as medicament. ASTRAZENECA AB (SE) 2006-07-19 — — EP claimed