SCHEMBL528329

SCHEMBL528329

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3)cc2)S(=O)(=O)C(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
HDAC8 Q9BY41 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
PTPN1 P18031 1/20 0.42
ABL1 P00519 4/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ROCK2 O75116 1/20 0.42
CBLB Q13191 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL528120 0.91 LMNA (0.53) MAPTLMNAHDAC8SMN1; SMN2MEN1
SCHEMBL529548 0.91 MAPT (0.52) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528856 0.90 MAPT (0.49) MAPTLMNAHDAC8SMN1; SMN2MEN1
SCHEMBL528238 0.90 MAPT (0.59) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528794 0.87 MAPT (0.62) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL529226 0.86 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL529437 0.86 MAPT (0.58) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528124 0.85 KMT2A (0.53) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528931 0.84 MAPT (0.47) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL528568 0.83 CCR2 (0.47) MAPTLMNASMN1; SMN2L3MBTL1ROCK2

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