SCHEMBL528058

SCHEMBL528058

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 6/20 0.64
NPSR1 Q6W5P4 3/20 0.64
GAA P10253 1/20 0.62
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.58
KCNH2 Q12809 1/20 0.54

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
SCHEMBL529287 0.96 KMT2A (0.64) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL529360 0.91 LMNA (0.67) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528092 0.90 MAPT (0.70) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528112 0.89 KMT2A (0.70) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528077 0.89 SMN1; SMN2 (0.57) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528714 0.89 SMN1; SMN2 (0.57) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528307 0.89 KMT2A (0.63) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528646 0.89 ALDH1A1 (0.59) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528907 0.89 MAPT (0.64) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL528242 0.89 MAPT (0.64) MEN1KMT2AMAPTNPSR1GAA

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed