SCHEMBL528599

SCHEMBL528599

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(C)c3C)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL528200 0.92 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL529730 0.87 MAPT (0.58) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL528658 0.87 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL528301 0.85 MAPT (0.48) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL528468 0.85 L3MBTL1 (0.57) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL529037 0.84 MAPT (0.51) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL529287 0.84 KMT2A (0.64) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL528847 0.83 MEN1 (0.55) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL529590 0.83 LMNA (0.49) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL529349 0.83 MAPT (0.61) MAPTALDH1A1KDM4EHPGDNPSR1

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