SCHEMBL9629282

SCHEMBL9629282

Nc1ccc([S+]([O-])c2cc(Br)ccc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL10537586 0.82 HSP90AA1 (0.31) HSP90AA1TLR9
SCHEMBL10537527 0.82 ALOX15 (0.41) ALOX15MEN1KMT2AHSP90AA1TLR9
SCHEMBL11396352 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15MAPK1MAPTKDM4E
SCHEMBL310582 0.71 MEN1 (0.50) ALDH1A1ALOX15MAPK1MAPTMEN1
SCHEMBL21055985 0.70 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL21055984 0.70 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL9629161 0.67 CYP3A4 (0.40) MAPTMEN1KMT2A
SCHEMBL2786319 0.66 CYP2A6 (0.50) ALDH1A1ALOX15MAPK1MMP2MMP9
SCHEMBL11203891 0.66 CYP3A4 (0.36) ALDH1A1ALOX15MAPTKDM4EMEN1
SCHEMBL9629034 0.64 TSHR (0.41) ALDH1A1ALOX15MAPK1MAPTMEN1

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-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0296250-A1 POLYARYLENE SULFIDE AND PROCESS FOR ITS PRODUCTION IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1988-12-28 EP disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed