SCHEMBL4768084

SCHEMBL4768084

CCC(C)NC(=O)N(CCCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H](COC)OC(=O)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL4135313 0.93 KMT2A (0.39) MEN1KMT2AHTTUSP2SMN1; SMN2
SCHEMBL4135320 0.93 KMT2A (0.39) MEN1KMT2AHTTUSP2SMN1; SMN2
SCHEMBL4140333 0.82 HTT (0.40) MEN1KMT2AHTTUSP2SMN1; SMN2
SCHEMBL4140336 0.82 HTT (0.40) MEN1KMT2AHTTUSP2SMN1; SMN2
SCHEMBL13889917 0.81 LIPG (0.34) MEN1KMT2AHTTMAPTLMNA
SCHEMBL4139482 0.79 LMNA (0.38) HTTSMN1; SMN2LMNAALDH1A1LIPG
SCHEMBL4139487 0.79 LMNA (0.38) HTTSMN1; SMN2LMNAALDH1A1LIPG
SCHEMBL4127774 0.76 KMT2A (0.45) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL4136559 0.74 LMNA (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4136566 0.74 LMNA (0.38) MEN1KMT2AMAPTLMNAALDH1A1

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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed