SCHEMBL529730

SCHEMBL529730

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL529397 0.91 MAPT (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL528200 0.91 ALDH1A1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL528522 0.90 MEN1 (0.52) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL529592 0.89 MAPT (0.55) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL529051 0.89 MAPT (0.71) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL528290 0.89 ALDH1A1 (0.49) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL528822 0.89 ALDH1A1 (0.49) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL529438 0.88 MAPT (0.54) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL528985 0.88 MAPT (0.54) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL528658 0.88 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNAALDH1A1KDM4E

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