SCHEMBL529437

SCHEMBL529437

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FFAR1 O14842 1/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KCNK3 O14649 2/20 0.45
KCNH2 Q12809 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ATM Q13315 1/20 0.44
CCR2 P41597 1/20 0.44
GPR17 Q13304 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NT5E P21589 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
SCHEMBL528124 0.91 KMT2A (0.53) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528931 0.90 MAPT (0.47) MAPTLMNATP53MEN1KMT2A
SCHEMBL529226 0.90 SMN1; SMN2 (0.48) MAPTLMNATP53MEN1KMT2A
SCHEMBL529349 0.89 MAPT (0.61) MAPTLMNATP53MEN1KMT2A
SCHEMBL529757 0.89 MAPT (0.53) MAPTLMNATP53MEN1KMT2A
SCHEMBL528238 0.89 MAPT (0.59) MAPTLMNATP53MEN1KMT2A
SCHEMBL527900 0.88 MAPT (0.60) MAPTLMNATP53MEN1KMT2A
SCHEMBL528568 0.88 CCR2 (0.47) MAPTLMNANPSR1CCR2GPR17
SCHEMBL528329 0.86 MAPT (0.47) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL528683 0.85 MAPT (0.77) MAPTLMNATP53MEN1KMT2A

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