SCHEMBL23199033

SCHEMBL23199033

C=C(C)C(=O)Nc1cccc(B(O)O)c1.C=CC(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
TGM2 P21980 4/20 0.50
BTK Q06187 4/20 0.50
TRPV1 Q8NER1 1/20 0.49
NLRP3 Q96P20 1/20 0.43
JAK3 P52333 3/20 0.42
JAK2 O60674 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP2K7 O14733 3/20 0.39
EGFR P00533 1/20 0.39
AURKA O14965 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL390106 0.90 TDP1 (0.64) TDP1TRPV1NLRP3JAK3EGFR
SCHEMBL30935191 0.89 TGM2 (0.61) TGM2BTKTRPV1NLRP3JAK3
SCHEMBL235432 0.89 TGM2 (0.61) TGM2BTKTRPV1NLRP3JAK3
SCHEMBL29246639 0.87 TGM2 (0.59) TGM2BTKTRPV1NLRP3JAK3
Acrylamide SCHEMBL22206248 0.83 TGM2 (0.55) TGM2BTKTRPV1NLRP3JAK3
Acrylamide SCHEMBL30480310 0.83 TGM2 (0.55) TGM2BTKTRPV1NLRP3JAK3
SCHEMBL30480308 0.82 TGM2 (0.50) TGM2BTKTRPV1NLRP3JAK3
SCHEMBL18100115 0.80 TGM2 (0.58) TGM2BTKTRPV1JAK3MAP2K7
SCHEMBL9123180 0.78 TDP1 (0.47) TDP1TGM2BTKTRPV1JAK3
Glycerin SCHEMBL9124274 0.78 TDP1 (0.44) TDP1TGM2BTKTRPV1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802510-A1 MONOETHYLENICALLY UNSATURATED MONOMERS AND USES THEREOF Bostik SA (FR) 2021-04-14 EP claimed