SCHEMBL528111

SCHEMBL528111

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR17 Q13304 1/20 0.46
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SIRT2 Q8IXJ6 3/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL528344 0.91 MAPT (0.56) MAPTLMNAKDM4ENPSR1GPR17
SCHEMBL527900 0.90 MAPT (0.60) MAPTLMNAKDM4ENPSR1GPR17
SCHEMBL528511 0.89 KMT2A (0.52) MAPTLMNAKDM4ENPSR1KCNH2
SCHEMBL528087 0.89 KMT2A (0.55) MAPTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL528931 0.89 MAPT (0.47) MAPTLMNAKDM4ENPSR1GPR17
SCHEMBL528010 0.88 SMN1; SMN2 (0.52) MAPTLMNAKDM4ENPSR1SMN1; SMN2
SCHEMBL528499 0.88 MAPT (0.63) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL529579 0.87 MAPT (0.61) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL528626 0.86 ALDH1A1 (0.46) MAPTLMNANPSR1KCNH2SMN1; SMN2
SCHEMBL528642 0.86 LMNA (0.48) MAPTLMNANPSR1GPR17SMN1; 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