SCHEMBL4563735

SCHEMBL4563735

O=C1CN=C(NCc2ccc3cc(S(=O)(=O)c4ccccc4)ccc3c2)N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.37
AKR1B1 P15121 1/20 0.37
NPY5R Q15761 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NPY1R P25929 1/20 0.36
CYP19A1 P11511 1/20 0.36
CLPP Q16740 1/20 0.35
PNMT P11086 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30425163 0.76 HSD17B10 (0.43) ALDH1A1
SCHEMBL3934050 0.65 HTR6 (0.61) AKR1B1CA1CA2ALDH1A1
SCHEMBL9587491 0.64 HTR6 (0.54) HTR2CCYP19A1CA12CA1CA2
SCHEMBL9589105 0.63 L3MBTL1 (0.54) NAMPTNPY5RNPY1RCYP19A1CA12
Bromide SCHEMBL9586294 0.62 L3MBTL1 (0.53) NAMPTNPY5RNPY1RCYP19A1CA12
SCHEMBL13063330 0.61 CYP2D6 (0.58)
SCHEMBL9586629 0.61 LOXL2 (0.50) AKR1B1NPY5RNPY1RCYP19A1CA1
SCHEMBL11650307 0.60 POLB (0.56) ALDH1A1
SCHEMBL1952494 0.60 LMNA (0.68) AKR1B1CA1CA2
SCHEMBL19476153 0.60 NAMPT (0.53) NAMPT

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-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed