SCHEMBL528901

SCHEMBL528901

COc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.74
LMNA P02545 5/20 0.74
ALDH1A1 P00352 4/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 3/20 0.58
NR3C1 P04150 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL529003 0.91 MAPT (0.66) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL529032 0.91 MAPT (0.77) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL527884 0.91 MAPT (0.74) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL528293 0.89 MAPT (0.59) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL531055 0.89 MAPT (0.71) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL528227 0.89 ALDH1A1 (0.64) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL529428 0.88 MAPT (0.57) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL528800 0.88 MAPT (0.62) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL528007 0.88 MAPT (0.62) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL527918 0.87 HPGD (0.65) MAPTLMNAALDH1A1HPGDHTT

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