SCHEMBL9756795

SCHEMBL9756795

O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1Br)c1cccc(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
NAT1 P18440 1/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
NAMPT P43490 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL250146 0.81 PTGS2 (0.56) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL3446335 0.79 PTGS2 (0.46) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL30223212 0.75 CYP1A2 (0.58) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL4202592 0.72 PTGS2 (0.55) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL25183913 0.72 CYP1A2 (0.38) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL547471 0.71 PTGS2 (0.39) PTGS2PTGS1KDM4EALDH1A1SLC6A4
SCHEMBL547470 0.71 PTGS2 (0.39) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL7643603 0.71 PTGS2 (0.54) PTGS2PTGS1ALDH1A1CYP3A4MAPK1
SCHEMBL30415853 0.70 CYP1A2 (0.41) PTGS2PTGS1RAB9ACYP2C19SLC6A4
SCHEMBL6901981 0.70 PTGS2 (0.68) PTGS2PTGS1KDM4EALDH1A1RAB9A

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
US-5037954-A Method to recover liquified poly(arylene sulfide) with separation agent PHILLIPS PETROLEUM COMPANY (US) 1991-08-06 US disclosed
EP-0436120-A2 Method to recover poly(arylene sulfide)s PHILLIPS PETROLEUM COMPANY (US) 1991-07-10 EP disclosed