SCHEMBL528589

SCHEMBL528589

Cc1ccc(N(Cc2cccc(NC(=O)c3ccccc3Cl)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 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
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
F2R P25116 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
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
CNR1 P21554 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
SCHEMBL528847 0.91 MEN1 (0.55) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL529348 0.90 SMN1; SMN2 (0.51) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528658 0.90 ALDH1A1 (0.53) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528522 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
SCHEMBL528321 0.86 MEN1 (0.48) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL528474 0.85 KCNK3 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E

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