SCHEMBL5722148

SCHEMBL5722148

O=[N+]([O-])c1cc(CNS(=O)(=O)c2cccs2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP19A1 P11511 2/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
VCAM1 P19320 1/20 0.43
TBXA2R P21731 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
SCHEMBL5429675 0.80 LMNA (0.57) LMNACYP19A1CYP2C19HTTVCAM1
SCHEMBL4969877 0.79 MEN1 (0.56) LMNAMEN1KMT2AHTTPKM
SCHEMBL4966705 0.73 NR1H3 (0.50) LMNAMEN1KMT2AHTTHPGD
SCHEMBL7211477 0.72 CYP2D6 (0.66) CYP2D6CYP2C9CYP2C19PKMHPGD
SCHEMBL25547148 0.71 MEN1 (0.62) LMNACYP2D6CYP2C9CYP2C19MEN1
Ammonia Solution, Strong SCHEMBL28203960 0.69 PKM (0.68) LMNACYP19A1MEN1KMT2APKM
SCHEMBL26547989 0.69 KDM4E (0.60) LMNACYP19A1KMT2AHTTTP53
SCHEMBL2073109 0.69 VCAM1 (0.59) LMNAMEN1KMT2AHTTVCAM1
SCHEMBL25240875 0.68 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19PKMHPGD
SCHEMBL25254752 0.68 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19PKMHPGD

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
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed