SCHEMBL6982501

SCHEMBL6982501

O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
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
HIF1A Q16665 1/20 0.46
NPY5R Q15761 6/20 0.46
NPY1R P25929 3/20 0.46
DRD2 P14416 1/20 0.46
ADRA2C P18825 1/20 0.46
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
GUSB P08236 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CYP19A1 P11511 2/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL21465270 0.82 HTR2C (0.53) ALDH1A1CYP2C9HTR2CHTR2BCYP19A1
SCHEMBL6760015 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL2821299 0.77 TBXA2R (0.45)
SCHEMBL2821696 0.77 TBXA2R (0.39) ALDH1A1NPY5RNPY1RDRD2ADRA2C
SCHEMBL11216052 0.75 GUSB (0.56) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL2865412 0.74 NPY5R (0.72) ALDH1A1NPY5RNPY1RDRD2ADRA2C
SCHEMBL30737053 0.74 KMT2A (0.59) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL4181150 0.74 CYP19A1 (0.65) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL29791528 0.74 CYP19A1 (0.65) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL30879299 0.73 KMT2A (0.44) ALDH1A1NPY5RNPY1RDRD2ADRA2C

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-1351928-A2 NOVEL N(PHENYLSULPHONYL)GLYCINE DERIVATIVES AND THEIR THERAPEUTIC USE LABORATOIRES FOURNIER S.A. (FR) 2003-10-15 EP disclosed
WO-2002053516-A2 N(PHENYLSULPHONYL)GLYCINE DERIVATIVES AND THEIR THERAPEUTIC USE LABORATOIRES FOURNIER SA (FR) 2002-07-11 WO disclosed