SCHEMBL8469458

SCHEMBL8469458

CCCCNS(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.49
CASP6 P55212 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL9181456 0.94 RECQL (0.52) CA12CA9TDP1POLBCASP6
SCHEMBL7834037 0.91 ALDH1A1 (0.48) CA12CA9TDP1POLBNPSR1
SCHEMBL9005826 0.84 ALDH1A1 (0.54) TDP1POLBNPSR1ALDH1A1ATM
SCHEMBL1685394 0.84 BRD4 (0.51) TDP1NPSR1ALDH1A1GAATSHR
SCHEMBL7737606 0.83 CA12 (0.51) CA12CA9TDP1POLBALDH1A1
SCHEMBL9835947 0.78 LMNA (0.41) ALDH1A1GAATSHRMAPTCYP3A4
SCHEMBL31391062 0.78 CA12 (0.63) CA12CA9TDP1POLBCASP6
SCHEMBL635553 0.78 CA12 (0.63) CA12CA9TDP1POLBCASP6
SCHEMBL10913560 0.77 GAA (0.56) POLBALDH1A1GAATSHRCYP3A4
SCHEMBL10907099 0.76 PTGES (0.56) CA12CA9TDP1POLBALDH1A1

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-0801663-B1 CURABLE SEALER AND/OR ADHESIVE COMPOSITION, METHOD FOR COATING SAME AND COATED SUBSTRATES MINNESOTA MINING & MFG (US) 1999-08-18 EP claimed
EP-0459304-B1 A one component sealant composition ADCO PRODUCTS INC (US) 1996-10-09 EP claimed
EP-0450105-B1 Room-temperature, moisture-curable, primerless, poluyrethane-based adhesive composition and method ADCO PRODUCTS INC (US) 1995-11-15 EP claimed
EP-0220409-B1 GEM-DIHALO AND TETRAHALO-1,12-DIAMINO-4,9-DIAZA-DODECANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-27 EP claimed