SCHEMBL529037

SCHEMBL529037

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPRC P08575 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
PTGES O14684 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL528200 0.88 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL529730 0.87 MAPT (0.58) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL528658 0.85 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL528599 0.84 MAPT (0.51) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL528468 0.83 L3MBTL1 (0.57) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL529239 0.83 MAPT (0.55) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL529121 0.83 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL529287 0.83 KMT2A (0.64) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL528788 0.82 MAPT (0.54) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL528301 0.82 MAPT (0.48) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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