SCHEMBL5754883

SCHEMBL5754883

O=[N+]([O-])c1cccc(S(=O)(=O)NCCC(c2ccccc2)N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 2/20 0.46
CCR5 P51681 1/20 0.44
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
KDM1A O60341 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
SCHEMBL5755953 0.87 CCR5 (0.49) MEN1KMT2AALDH1A1CCR5LMNA
SCHEMBL5758880 0.86 HTT (0.49) MEN1KMT2ACYP19A1ALDH1A1CCR5
SCHEMBL5754014 0.83 CYP19A1 (0.48) MEN1KMT2ACYP19A1ALDH1A1CCR5
SCHEMBL5757613 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1CCR5MAPT
SCHEMBL6007256 0.79 MEN1 (0.56) MEN1KMT2ACYP19A1ALDH1A1CCR5
SCHEMBL5758271 0.77 CCR5 (0.52) ALDH1A1CCR5LMNA
SCHEMBL5758217 0.76 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CCR5POLB
SCHEMBL5759449 0.75 CCR5 (0.44) CCR5LMNA
SCHEMBL4349159 0.72 CYP19A1 (0.86) MEN1KMT2ACYP19A1ALDH1A1LMNA
SCHEMBL30075076 0.72 CYP19A1 (0.86) MEN1KMT2ACYP19A1ALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed