SCHEMBL528200

SCHEMBL528200

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
FFAR1 O14842 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL528599 0.92 MAPT (0.51) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL528658 0.91 ALDH1A1 (0.53) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL529730 0.91 MAPT (0.58) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL528340 0.90 FFAR1 (0.51) ALDH1A1MAPTHPGDKDM4EFFAR1
SCHEMBL528847 0.89 MEN1 (0.55) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL528468 0.89 L3MBTL1 (0.57) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL528702 0.89 MAPT (0.58) ALDH1A1MAPTHPGDKDM4EFFAR1
SCHEMBL528331 0.89 FFAR1 (0.49) ALDH1A1MAPTHPGDKDM4EFFAR1
SCHEMBL529037 0.88 MAPT (0.51) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL529287 0.88 KMT2A (0.64) ALDH1A1MAPTHPGDKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed