SCHEMBL7145348

SCHEMBL7145348

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCCC(N[C@H](C)C4CCCCC4)CC3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.40
PREP P48147 1/20 0.40
WDR5 P61964 1/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL7139804 0.93 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AEPHX2
SCHEMBL7145029 0.88 HPGD (0.42) ALDH1A1TSHRMEN1KMT2AEPHX2
SCHEMBL7146507 0.85 CYP2C9 (0.47) ALDH1A1TSHRKMT2APREP
SCHEMBL7145105 0.84 CHRM1 (0.44) ALDH1A1TSHREPHX2PREPWDR5
SCHEMBL7148318 0.84 CHRM1 (0.43) ALDH1A1TSHREPHX2PREPWDR5
SCHEMBL7145650 0.83 MEN1 (0.41) ALDH1A1TSHRMEN1KMT2AEPHX2
SCHEMBL7148150 0.83 CHRM1 (0.46) ALDH1A1TSHRPREPGAAHPGD
SCHEMBL7145126 0.82 GAA (0.38) ALDH1A1TSHRMEN1KMT2AEPHX2
SCHEMBL3479744 0.82 KMT2A (0.51) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL7138079 0.82 ALDH1A1 (0.41) ALDH1A1TSHREPHX2PREPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP claimed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO claimed
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP disclosed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO disclosed