SCHEMBL529259

SCHEMBL529259

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccc(C)cc2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.49
ENPP1 P22413 1/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL528511 0.92 KMT2A (0.52) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528823 0.92 MAPT (0.53) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528087 0.91 KMT2A (0.55) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528399 0.90 MAPT (0.56) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL529561 0.89 SMN1; SMN2 (0.48) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL527900 0.89 MAPT (0.60) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529757 0.87 MAPT (0.53) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529426 0.86 LMNA (0.55) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL527884 0.85 MAPT (0.74) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL529413 0.85 KDM4E (0.56) MAPTNPSR1ALDH1A1KMT2AMEN1

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