SCHEMBL527884

SCHEMBL527884

Cc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.74
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 5/20 0.62
PTGES O14684 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ALOX5 P09917 2/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52

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 0.95 MAPT (0.66) MAPTALDH1A1KDM4ELMNAPTGES
SCHEMBL528227 0.92 ALDH1A1 (0.64) MAPTALDH1A1KDM4ELMNAPTGES
SCHEMBL531055 0.92 MAPT (0.71) MAPTALDH1A1KDM4ELMNAPTGES
SCHEMBL528901 0.91 MAPT (0.74) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL528683 0.90 MAPT (0.77) MAPTALDH1A1KDM4ELMNAPTGES
SCHEMBL528969 0.90 MAPT (0.60) MAPTALDH1A1KDM4ELMNAPTGES
SCHEMBL528293 0.87 MAPT (0.59) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL528702 0.87 MAPT (0.58) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL528590 0.87 MAPT (0.63) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL528499 0.87 MAPT (0.63) MAPTALDH1A1KDM4ELMNASMN1; SMN2

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