SCHEMBL529394

SCHEMBL529394

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CNR1 P21554 1/20 0.49
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NR3C1 P04150 2/20 0.46
POLB P06746 2/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL528468 0.90 L3MBTL1 (0.57) LMNANPSR1KMT2AL3MBTL1ALDH1A1
SCHEMBL528369 0.88 MEN1 (0.52) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL528200 0.86 ALDH1A1 (0.55) LMNANPSR1MEN1KMT2AL3MBTL1
SCHEMBL528658 0.84 ALDH1A1 (0.53) LMNANPSR1MEN1KMT2AL3MBTL1
SCHEMBL529730 0.84 MAPT (0.58) LMNANPSR1MEN1KMT2AL3MBTL1
SCHEMBL528770 0.83 MAPT (0.60) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL529287 0.83 KMT2A (0.64) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL528514 0.83 L3MBTL1 (0.49) KMT2AL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL528599 0.82 MAPT (0.51) LMNANPSR1MEN1KMT2AL3MBTL1
SCHEMBL529245 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; 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