SCHEMBL11045136

SCHEMBL11045136

O=S(=O)(c1ccc(-c2ccccc2)c(-c2ccccc2)c1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
HTR6 P50406 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
MAOA P21397 1/20 0.44
LOX P28300 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL6009061 0.88 PTGS2 (0.56) PTGS2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL13731761 0.88 PTGS2 (0.56) PTGS2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL29639004 0.88 PTGS2 (0.56) PTGS2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27859837 0.86 PTGS2 (0.53) PTGS2HTR6MAOALOXCA12
SCHEMBL6009067 0.83 ALDH1A1 (0.48) PTGS2HTR6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5305256 0.83 TSHR (0.52) PTGS2SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL4733933 0.83 CA2 (0.61) PTGS2CA12CA1CA2CA9
SCHEMBL18424825 0.83 ALDH1A1 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL5524387 0.82 VCAM1 (0.46) PTGS2HTR6MAOALOXPTGS1
SCHEMBL9713722 0.82 BACE1 (0.56) PTGS2HTR6MAOALOXCA12

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
US-4543416-A Di(phthalic anhydride) derivatives of di(disubstituted phenol) sulfones GENERAL ELECTRIC COMPANY (US) 1985-09-24 US disclosed
US-4523006-A Polyetherimides of di(phthalic anhydride) derivatives of di(substituted phenol) sulfones GENERAL ELECTRIC COMPANY (US) 1985-06-11 US disclosed
EP-0117416-A1 Novel monomers and polyetherimides prepared therefrom GENERAL ELECTRIC COMPANY (US) 1984-09-05 EP disclosed