SCHEMBL7145029

SCHEMBL7145029

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCCC(NCC4CCCCC4)CC3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.41
EPHX2 P34913 1/20 0.41
PREP P48147 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
CHRM1 P11229 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL7146507 0.88 CYP2C9 (0.47) ALDH1A1KMT2ATSHRPREPCHRM1
SCHEMBL7145348 0.88 ALDH1A1 (0.42) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7145105 0.87 CHRM1 (0.44) HPGDALDH1A1POLBTSHRRAB9A
SCHEMBL7148318 0.87 CHRM1 (0.43) HPGDALDH1A1POLBTSHRRAB9A
SCHEMBL7147012 0.87 ALDH1A1 (0.42) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL7145650 0.86 MEN1 (0.41) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL7148150 0.86 CHRM1 (0.46) HPGDALDH1A1POLBTSHRPREP
SCHEMBL7143814 0.84 CYP2C9 (0.52) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7145126 0.84 GAA (0.38) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL7143055 0.83 DRD4 (0.47) SMN1; SMN2MEN1KMT2ARAB9ACHRM1

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