Sugi Predict

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SCHEMBL5807932

SCHEMBL5807932

Cc1ccc(-n2nc(C(=O)NC(C(C)(C)C)C(C)(C)C)c3c2CCCC3)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 3/20 0.53
▸ CNR1 P21554 10/20 0.52
▸ CNR2 P34972 8/20 0.52
▸ STAT1 P42224 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL5808802 0.77 CNR1 (0.56) UGCGCNR1CNR2
SCHEMBL5822464 0.77 CNR2 (0.85) UGCGCNR1CNR2
SCHEMBL5811149 0.75 CNR1 (0.59) UGCGCNR1CNR2
SCHEMBL5808194 0.74 LMNA (0.54) UGCGCNR1CNR2MEN1KMT2A
SCHEMBL5808694 0.74 CNR2 (0.68) UGCGCNR1CNR2STAT1MEN1
SCHEMBL5810507 0.72 CNR2 (0.43) UGCGCNR1CNR2MEN1KMT2A
SCHEMBL5811399 0.71 CNR1 (0.65) UGCGCNR1CNR2STAT1
SCHEMBL25435582 0.69 UGCG (1.00) UGCGCNR1CNR2STAT1GAA
SCHEMBL30589705 0.69 UGCG (1.00) UGCGCNR1CNR2STAT1GAA
SCHEMBL5811700 0.68 CNR2 (0.61) UGCGCNR1CNR2

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-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 — — WO claimed
WO-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 — — WO disclosed