SCHEMBL8978700

SCHEMBL8978700

O=S(=O)(c1ccc(Br)cc1)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.62
PLCG1 P19174 1/20 0.59
MMP2 P08253 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 1/20 0.54
CA1 P00915 1/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
LMNA P02545 3/20 0.52
CYP3A4 P08684 2/20 0.52
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
MPO P05164 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
AKR1B1 P15121 1/20 0.50

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
SCHEMBL2122562 1.00 CA2 (0.62) CA2PLCG1MMP2CA12CA9
SCHEMBL250285 1.00 CA2 (0.62) CA2PLCG1MMP2CA12CA9
SCHEMBL18187419 1.00 CA2 (0.62) CA2PLCG1MMP2CA12CA9
SCHEMBL9356008 0.92 CA2 (0.67) CA2PLCG1MMP2CA12CA9
SCHEMBL28020290 0.92 CA2 (0.54) CA2PLCG1MMP2CA12CA9
SCHEMBL5518603 0.92 CA2 (0.67) CA2PLCG1MMP2CA12CA9
SCHEMBL5527319 0.92 CA2 (0.67) CA2PLCG1MMP2CA12CA9
SCHEMBL16487 0.89 HTR6 (0.70) CA2PLCG1MMP2CA12CA9
SCHEMBL28227769 0.89 HTR6 (0.70) CA2PLCG1MMP2CA12CA9
SCHEMBL8142964 0.87 CA2 (0.50) CA2PLCG1MMP2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411625-B1 Method to produce poly(arylene sulfide/sulfone) polymer PHILLIPS PETROLEUM CO (US) 1996-05-08 EP disclosed
US-5008368-A Preparation of poly(arylene sulfide/sulfone) polymer with addition of water after polymerization is initiated PHILLIPS PETROLEUM COMPANY (US) 1991-04-16 US disclosed
EP-0411625-A2 Method to produce poly(arylene sulfide/sulfone) polymer PHILLIPS PETROLEUM COMPANY (US) 1991-02-06 EP disclosed