SCHEMBL529227

SCHEMBL529227

CCOc1cccc(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 5/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.54
NR1H4 Q96RI1 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
RECQL P46063 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 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
SCHEMBL529523 0.91 MAPT (0.56) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528112 0.86 KMT2A (0.70) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528554 0.85 MEN1 (0.57) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL529092 0.84 KMT2A (0.59) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528474 0.84 KCNK3 (0.53) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL527890 0.82 MAPT (0.62) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528415 0.82 LMNA (0.57) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528835 0.80 MAPT (0.62) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528145 0.80 MAPT (0.55) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL528847 0.80 MEN1 (0.55) MAPTKMT2ASMN1; SMN2LMNAALDH1A1

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