SCHEMBL528041

SCHEMBL528041

Cc1ccc(N(Cc2ccc(NC(=O)c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
MAPT P10636 7/20 0.52
GPR27 Q9NS67 2/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR3C1 P04150 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
SCHEMBL529297 0.94 MAPT (0.59) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL528702 0.90 MAPT (0.58) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL529639 0.90 MAPT (0.55) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL528227 0.90 ALDH1A1 (0.64) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL528499 0.88 MAPT (0.63) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL529590 0.87 LMNA (0.49) HTTALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL528626 0.86 ALDH1A1 (0.46) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL529003 0.86 MAPT (0.66) HTTALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL529051 0.86 MAPT (0.71) HTTALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL528323 0.85 GAA (0.44) HTTALDH1A1HPGDSMN1; SMN2CNR1

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