SCHEMBL529102

SCHEMBL529102

Cc1ccc(C)c(C(=O)Nc2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 4/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
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
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ACKR3 P25106 1/20 0.44
RECQL P46063 1/20 0.43

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) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528261 0.86 MAPK1 (0.58) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528522 0.86 MEN1 (0.52) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528589 0.86 MEN1 (0.52) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528112 0.85 KMT2A (0.70) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529348 0.84 SMN1; SMN2 (0.51) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528484 0.84 MEN1 (0.48) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528632 0.84 ALDH1A1 (0.51) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL528321 0.84 MEN1 (0.48) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529028 0.84 MEN1 (0.50) MAPTNPSR1MEN1KMT2ALMNA

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