SCHEMBL14081471

SCHEMBL14081471

Cc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(I)c4)c(=O)c3OCC3(C)CC3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP2C19 P33261 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL4137055 0.93 POLB (0.43) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4131381 0.88 POLB (0.43) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4136250 0.85 POLB (0.42) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4139196 0.85 POLB (0.42) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL11946250 0.85 CXCR3 (0.38) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4147841 0.84 POLB (0.45) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4131223 0.83 POLB (0.41) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL4131204 0.83 POLB (0.41) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL11945656 0.83 POLB (0.42) MAPTALDH1A1LMNACYP2C19POLB
SCHEMBL11944363 0.83 POLB (0.46) MAPTALDH1A1LMNACYP2C19POLB

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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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