SCHEMBL22294668

SCHEMBL22294668

CN(N)C(=O)Cc1ccc(-c2cc(F)ccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA5A P35218 4/20 0.57
CA9 Q16790 4/20 0.57
CA5B Q9Y2D0 4/20 0.57
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC9A1 P19634 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
F10 P00742 1/20 0.37
MLNR O43193 1/20 0.37
PPARG P37231 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL20888575 0.89 CA12 (0.56) CA12CA1CA2CA5ACA9
SCHEMBL20904160 0.84 CA12 (0.55) CA12CA1CA2CA5ACA9
SCHEMBL22294681 0.83 CA12 (0.56) CA12CA1CA2CA5ACA9
SCHEMBL6625005 0.82 TDP1 (0.59) POLBAPEX1TDP1SMN1; SMN2
SCHEMBL30780084 0.79 RXRA (0.50) CA12CA1CA2CA5ACA9
SCHEMBL1177329 0.79 RXRA (0.50) CA12CA1CA2CA5ACA9
SCHEMBL24399521 0.77 CYP4F2 (0.51) CA12CA1CA2CA5ACA9
SCHEMBL1178020 0.77 CA12 (0.48) CA12CA1CA2CA5ACA9
SCHEMBL20904178 0.75 CA12 (0.65) CA12CA1CA2CA5ACA9
SCHEMBL22055974 0.75 CA12 (0.75) CA12CA1CA2CA5ACA9

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
EP-4209491-A1 ENANTIOMERS OF SUBSTITUTED THIAZOLES AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-07-12 EP disclosed
EP-3440063-B1 AMINOTHIAZOLE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INNOVATIVE MOLECULES GMBH (DE) 2020-08-05 EP disclosed