SCHEMBL528374

SCHEMBL528374

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)S(=O)(=O)C(C)C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 5/20 0.44
HTT P42858 1/20 0.44
SIRT2 Q8IXJ6 7/20 0.44
ROCK2 O75116 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL528568 0.90 CCR2 (0.47) SMN1; SMN2LMNAMAPTSIRT2ROCK2
SCHEMBL528483 0.89 MAPT (0.54) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL529757 0.89 MAPT (0.53) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL529561 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL529002 0.87 LMNA (0.50) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL528370 0.87 MAPT (0.52) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL528124 0.87 KMT2A (0.53) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL528969 0.85 MAPT (0.60) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL528251 0.83 MAPT (0.41) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL529437 0.83 MAPT (0.58) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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