SCHEMBL528301

SCHEMBL528301

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(Cl)c3F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL528658 0.90 ALDH1A1 (0.53) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL527870 0.87 MAPT (0.56) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL529730 0.86 MAPT (0.58) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL528599 0.85 MAPT (0.51) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL528200 0.85 ALDH1A1 (0.55) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL528022 0.83 LMNA (0.49) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL529590 0.83 LMNA (0.49) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL528589 0.83 MEN1 (0.52) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL529037 0.82 MAPT (0.51) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL528290 0.82 ALDH1A1 (0.49) MAPTALDH1A1HPGDKDM4ENPSR1

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