SCHEMBL529349

SCHEMBL529349

Cc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
LMNA P02545 5/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
TP53 P04637 3/20 0.54
FFAR1 O14842 1/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 5/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL527900 0.91 MAPT (0.60) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL529287 0.90 KMT2A (0.64) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528337 0.90 MAPT (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528754 0.90 MAPT (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528344 0.90 MAPT (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528820 0.90 MAPT (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528395 0.90 MAPT (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL528092 0.90 MAPT (0.70) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL529437 0.89 MAPT (0.58) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL527890 0.88 MAPT (0.62) MAPTLMNANPSR1MEN1KMT2A

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