SCHEMBL528675

SCHEMBL528675

CCc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.47
LMNA P02545 4/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL529361 0.88 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529111 0.88 MAPT (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529168 0.88 MAPT (0.55) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529288 0.87 MAPT (0.58) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528269 0.86 NPSR1 (0.53) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528291 0.85 KDM4E (0.68) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528278 0.85 MAPT (0.55) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528351 0.84 MAPT (0.48) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528277 0.81 MAPT (0.62) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528670 0.79 MAPT (0.61) MAPTALDH1A1KDM4EHPGDHTT

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