SCHEMBL528522

SCHEMBL528522

Cc1ccc(N(Cc2cccc(NC(=O)c3ccccc3F)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
F2R P25116 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL528847 0.91 MEN1 (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528484 0.90 MEN1 (0.48) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529730 0.90 MAPT (0.58) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528321 0.90 MEN1 (0.48) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528589 0.88 MEN1 (0.52) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528261 0.87 MAPK1 (0.58) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL529102 0.86 MAPT (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528112 0.86 KMT2A (0.70) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529028 0.86 MEN1 (0.50) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528567 0.85 KCNK3 (0.54) MEN1KMT2AMAPTNPSR1LMNA

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