SCHEMBL9132020

SCHEMBL9132020

O=C(O)C(S)=Cc1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
JUN P05412 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9132013 1.00 NFKB1 (0.50) NFKB1CA1CA2CA4TRIM24
SCHEMBL7607193 0.79 NFKB1 (0.53) NFKB1CA1CA2CA4TRIM24
SCHEMBL4452379 0.79 CA2 (0.53) NFKB1CA1CA2CA4TRIM24
SCHEMBL1137305 0.76 AKR1C3 (0.59) NFKB1CA1CA2CA4TRIM24
SCHEMBL7067852 0.76 CA2 (0.50) NFKB1CA1CA2CA4TRIM24
SCHEMBL208434 0.76 AKR1C3 (0.59) NFKB1CA1CA2CA4TRIM24
SCHEMBL7067854 0.76 CA2 (0.50) NFKB1CA1CA2CA4TRIM24
SCHEMBL7436213 0.76 KDM4E (0.55) MAPT
SCHEMBL7827946 0.76 NFKB1 (0.46) NFKB1CA1CA2CA4TRIM24
SCHEMBL7436220 0.76 KDM4E (0.55) MAPT

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-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US claimed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed