SCHEMBL529168

SCHEMBL529168

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
HTT P42858 1/20 0.51
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
KCNH2 Q12809 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL528278 0.95 MAPT (0.55) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL529111 0.92 MAPT (0.64) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528291 0.89 KDM4E (0.68) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528675 0.88 MAPT (0.51) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528229 0.87 MAPT (0.62) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528865 0.86 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528087 0.84 KMT2A (0.55) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL528797 0.84 MAPT (0.51) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528566 0.83 MAPT (0.59) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL528670 0.82 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 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