SCHEMBL529757

SCHEMBL529757

Cc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
KCNH2 Q12809 1/20 0.43
CCR5 P51681 1/20 0.42

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
SCHEMBL528370 0.92 MAPT (0.52) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529002 0.92 LMNA (0.50) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528124 0.92 KMT2A (0.53) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528374 0.89 SMN1; SMN2 (0.45) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529437 0.89 MAPT (0.58) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529259 0.87 MAPT (0.55) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528120 0.87 LMNA (0.53) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL528931 0.85 MAPT (0.47) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL529226 0.85 SMN1; SMN2 (0.48) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL528331 0.84 FFAR1 (0.49) MAPTALDH1A1KMT2AMEN1LMNA

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